#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6k n ARG 2 N 0.00 1.22 -2.00 2.12 3.00 -1.26 -4.93 116.66 114.81 1f6k n ARG 2 Ca 0.00 0.45 -0.42 0.00 -0.00 0.00 0.00 57.85 57.88 1f6k n ARG 2 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 32.46 30.33 1f6k n ARG 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1f6k s ASP 3 N -0.90 6.66 -0.05 6.15 2.15 -1.26 -4.89 116.67 124.52 1f6k s ASP 3 Ca 0.67 2.46 0.14 0.00 0.43 0.00 0.00 52.55 56.25 1f6k s ASP 3 Cb -0.50 -2.58 0.43 0.00 -0.30 0.00 0.00 42.92 39.97 1f6k s ASP 3 CO 0.54 -0.82 1.35 0.18 -0.17 0.00 0.00 175.17 176.26 1f6k n LEU 4 N 4.85 3.42 -4.86 -1.34 4.77 -1.26 -4.84 117.00 117.73 1f6k n LEU 4 Ca 0.14 -2.28 -0.30 0.00 -0.03 0.00 0.00 56.01 53.54 1f6k n LEU 4 Cb 0.40 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1f6k n LEU 4 CO 0.61 0.75 0.75 -0.54 -1.33 0.00 0.00 177.39 177.63 1f6k s LYS 5 N -1.51 2.42 0.00 3.23 1.02 -1.26 -4.93 119.74 118.70 1f6k s LYS 5 Ca 0.32 0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.73 1f6k s LYS 5 Cb 0.20 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 1f6k s LYS 5 CO 0.16 -1.34 0.00 0.41 -0.92 0.00 0.00 175.35 173.67 1f6k n GLY 6 N -2.83 -1.09 3.57 -3.33 0.00 -0.50 -4.92 105.19 96.10 1f6k n GLY 6 Ca 0.07 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 1f6k n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f6k s ILE 7 N 0.00 5.11 -0.16 -0.61 -1.09 -1.26 -1.41 121.20 121.77 1f6k s ILE 7 Ca 0.00 0.34 -0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1f6k s ILE 7 Cb 0.00 -3.85 -0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1f6k s ILE 7 CO 0.00 -0.07 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.14 1f6k s PHE 8 N 2.19 2.81 0.10 3.97 0.40 0.11 -0.39 117.98 127.16 1f6k s PHE 8 Ca 0.16 -1.06 -0.30 0.00 -0.60 0.00 0.00 56.93 55.12 1f6k s PHE 8 Cb -0.16 -1.92 -0.06 0.00 0.51 0.00 0.00 43.02 41.40 1f6k s PHE 8 CO 0.12 -0.50 1.03 -1.12 0.70 0.00 0.00 175.22 175.44 1f6k s SER 9 N 0.93 7.37 -0.43 1.36 0.01 -0.81 -1.69 113.70 120.43 1f6k s SER 9 Ca -0.03 1.86 -0.29 0.00 1.31 0.00 0.00 55.95 58.80 1f6k s SER 9 Cb -0.15 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.52 1f6k s SER 9 CO -0.02 -0.19 1.15 0.00 0.41 0.00 0.00 173.24 174.59 1f6k s ALA 10 N 0.30 3.23 -0.05 1.44 0.00 0.06 -1.06 121.76 125.67 1f6k s ALA 10 Ca 0.50 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1f6k s ALA 10 Cb -0.25 -3.85 -0.05 0.00 0.00 0.00 0.00 23.12 18.97 1f6k s ALA 10 CO 0.30 -2.09 1.60 -1.17 0.00 0.00 0.00 175.76 174.40 1f6k s LEU 11 N 4.36 4.31 0.50 0.00 2.96 -0.22 -4.59 118.68 125.99 1f6k s LEU 11 Ca 0.49 2.19 -0.18 0.00 -0.22 0.00 0.00 54.13 56.41 1f6k s LEU 11 Cb -0.09 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.98 1f6k s LEU 11 CO 0.28 -0.89 0.99 -0.76 -1.32 0.00 0.00 176.35 174.66 1f6k s LEU 12 N 3.74 3.71 -0.02 -0.68 1.43 -1.26 -2.97 118.68 122.63 1f6k s LEU 12 Ca 0.71 1.68 0.07 0.00 -1.03 0.00 0.00 54.13 55.56 1f6k s LEU 12 Cb -0.33 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.34 1f6k s LEU 12 CO 0.28 -0.64 -0.22 -0.69 0.23 0.00 0.00 176.35 175.31 1f6k s VAL 13 N -2.40 2.41 -0.15 -1.59 1.01 -1.26 -4.93 120.40 113.48 1f6k s VAL 13 Ca 0.61 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 1f6k s VAL 13 Cb -0.11 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1f6k s VAL 13 CO 0.26 0.54 0.71 -0.55 0.00 0.00 0.00 175.10 176.06 1f6k s SER 14 N -0.79 6.85 0.15 3.32 0.15 -1.26 -4.90 113.70 117.22 1f6k s SER 14 Ca 0.11 1.03 0.09 0.00 0.70 0.00 0.00 55.95 57.89 1f6k s SER 14 Cb -0.10 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1f6k s SER 14 CO 0.00 -0.27 -0.15 -0.36 1.20 0.00 0.00 173.24 173.66 1f6k s PHE 15 N 1.69 2.55 0.81 3.44 0.08 -1.17 -0.57 117.98 124.81 1f6k s PHE 15 Ca 0.34 -0.26 -0.12 0.00 0.12 0.00 0.00 56.93 57.02 1f6k s PHE 15 Cb -0.16 -1.30 0.09 0.00 -0.57 0.00 0.00 43.02 41.08 1f6k s PHE 15 CO 0.13 0.46 1.17 -0.80 -0.10 0.00 0.00 175.22 176.07 1f6k s ASN 16 N -2.49 4.44 0.36 1.36 0.01 0.98 -1.01 114.94 118.57 1f6k s ASN 16 Ca 0.21 0.70 0.09 0.00 -0.71 0.00 0.00 52.86 53.15 1f6k s ASN 16 Cb -0.09 -1.17 0.81 0.00 0.41 0.00 0.00 41.25 41.21 1f6k s ASN 16 CO 0.12 -1.93 1.89 -0.08 -1.51 0.00 0.00 177.10 175.59 1f6k h GLU 17 N -1.04 0.67 -0.05 -0.60 4.81 -1.94 -1.36 114.58 115.06 1f6k h GLU 17 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1f6k h GLU 17 Cb 1.32 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1f6k h GLU 17 CO 0.63 0.44 0.00 -0.40 -0.73 0.00 0.00 179.01 178.96 1f6k n ASP 18 N -4.54 0.45 0.00 1.04 5.75 -1.26 -4.92 116.55 113.08 1f6k n ASP 18 Ca 0.16 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 1f6k n ASP 18 Cb 0.43 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1f6k n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f6k n GLY 19 N 0.83 1.64 3.82 6.12 0.00 -0.51 -5.06 105.19 112.03 1f6k n GLY 19 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1f6k n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1f6k s THR 20 N -2.35 4.11 0.15 2.61 -4.23 -1.26 -4.72 115.64 109.94 1f6k s THR 20 Ca 0.00 0.80 -0.31 0.00 -1.18 0.00 0.00 61.69 61.01 1f6k s THR 20 Cb 0.00 -3.49 -0.08 0.00 1.34 0.00 0.00 72.50 70.27 1f6k s THR 20 CO 0.00 -0.78 1.39 -0.63 -0.54 0.00 0.00 174.62 174.06 1f6k s ILE 21 N -2.85 3.19 -0.64 2.99 1.01 -1.26 -0.02 121.20 123.62 1f6k s ILE 21 Ca 0.59 0.89 -0.18 0.00 0.00 0.00 0.00 60.65 61.95 1f6k s ILE 21 Cb -0.14 -3.57 0.12 0.00 0.01 0.00 0.00 42.46 38.88 1f6k s ILE 21 CO 0.47 0.09 0.73 0.21 0.00 0.00 0.00 174.94 176.44 1f6k s ASN 22 N 0.88 6.28 0.18 3.58 3.84 0.27 -4.76 114.94 125.22 1f6k s ASN 22 Ca 0.63 -1.65 -0.10 0.00 0.21 0.00 0.00 52.86 51.94 1f6k s ASN 22 Cb -0.38 -2.29 0.10 0.00 -0.55 0.00 0.00 41.25 38.13 1f6k s ASN 22 CO 0.33 -1.03 1.73 -0.08 -2.79 0.00 0.00 177.10 175.25 1f6k h GLU 23 N 8.99 1.00 -0.71 0.43 4.81 -1.94 0.10 114.58 127.26 1f6k h GLU 23 Ca -0.21 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 1f6k h GLU 23 Cb 1.08 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 1f6k h GLU 23 CO 1.06 0.86 0.24 -0.22 -0.73 0.00 0.00 179.01 180.23 1f6k h LYS 24 N 0.94 1.09 -0.46 1.92 3.64 -1.96 -0.28 116.57 121.46 1f6k h LYS 24 Ca 0.22 -0.22 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1f6k h LYS 24 Cb 0.26 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1f6k h LYS 24 CO -0.01 0.93 -0.25 0.78 -2.27 0.00 0.00 179.45 178.63 1f6k h GLY 25 N 1.04 1.06 0.98 5.01 0.00 -1.68 -1.75 103.07 107.73 1f6k h GLY 25 Ca 0.23 -0.97 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1f6k h GLY 25 CO -0.01 0.88 0.28 -2.00 0.00 0.00 0.00 176.54 175.69 1f6k h LEU 26 N 0.84 0.63 -1.26 3.11 5.85 -0.57 -0.16 115.31 123.74 1f6k h LEU 26 Ca 0.10 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1f6k h LEU 26 Cb 0.83 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1f6k h LEU 26 CO 0.07 0.54 0.10 0.03 -0.34 0.00 0.00 178.44 178.84 1f6k h ARG 27 N 0.67 0.61 -0.37 1.25 3.08 -0.87 -1.39 114.38 117.36 1f6k h ARG 27 Ca 0.18 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1f6k h ARG 27 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1f6k h ARG 27 CO -0.03 0.56 -0.15 1.96 -1.07 0.00 0.00 179.97 181.24 1f6k h GLN 28 N 0.60 0.67 -0.53 0.04 4.20 -0.58 -0.46 115.11 119.05 1f6k h GLN 28 Ca 0.14 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1f6k h GLN 28 Cb 0.23 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1f6k h GLN 28 CO -0.00 0.79 0.11 0.82 -0.67 0.00 0.00 178.83 179.87 1f6k h ILE 29 N 0.60 1.25 -0.34 2.54 2.04 -0.32 -1.07 117.51 122.21 1f6k h ILE 29 Ca 0.10 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1f6k h ILE 29 Cb 0.60 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1f6k h ILE 29 CO 0.04 0.33 0.14 0.40 0.00 0.00 0.00 178.15 179.06 1f6k h ILE 30 N 0.76 1.18 -0.82 -0.67 2.04 -0.93 -2.08 117.51 116.99 1f6k h ILE 30 Ca 0.16 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1f6k h ILE 30 Cb 0.37 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1f6k h ILE 30 CO 0.01 0.19 0.38 0.03 0.00 0.00 0.00 178.15 178.75 1f6k h ARG 31 N 0.40 1.19 -0.52 2.37 2.47 -0.93 -1.51 114.38 117.84 1f6k h ARG 31 Ca 0.11 -0.18 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1f6k h ARG 31 Cb 0.16 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.24 1f6k h ARG 31 CO -0.01 0.92 0.31 1.25 0.56 0.00 0.00 179.97 183.00 1f6k h HIS 32 N 1.17 0.58 -0.11 3.04 2.76 -0.96 0.81 115.15 122.45 1f6k h HIS 32 Ca 0.28 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1f6k h HIS 32 Cb 0.14 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 1f6k h HIS 32 CO 0.02 0.33 0.04 -0.91 -1.30 0.00 0.00 177.93 176.11 1f6k h ASN 33 N 0.62 0.16 0.09 3.26 2.35 -0.74 -0.25 115.58 121.07 1f6k h ASN 33 Ca 0.21 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1f6k h ASN 33 Cb 0.02 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1f6k h ASN 33 CO -0.09 0.31 -0.04 0.40 -1.65 0.00 0.00 177.43 176.35 1f6k h ILE 34 N 0.01 1.14 0.04 2.81 2.04 -1.18 -1.13 117.51 121.23 1f6k h ILE 34 Ca 0.04 -0.90 -0.25 0.00 1.00 0.00 0.00 64.86 64.74 1f6k h ILE 34 Cb 0.20 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1f6k h ILE 34 CO -0.00 0.22 -1.29 0.44 0.00 0.00 0.00 178.15 177.52 1f6k h ASP 35 N -0.54 0.13 0.00 1.72 3.32 -0.92 -3.28 116.42 116.85 1f6k h ASP 35 Ca -0.01 -0.16 -0.14 0.00 0.02 0.00 0.00 57.03 56.74 1f6k h ASP 35 Cb 0.45 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1f6k h ASP 35 CO 0.02 1.13 -1.51 0.29 -1.72 0.00 0.00 179.24 177.45 1f6k n LYS 36 N -3.33 0.22 0.20 3.56 4.76 -0.37 -4.63 118.16 118.58 1f6k n LYS 36 Ca -0.08 0.05 0.08 0.00 -2.87 0.00 0.00 58.31 55.50 1f6k n LYS 36 Cb 0.99 -1.16 0.23 0.00 -1.84 0.00 0.00 35.03 33.25 1f6k n LYS 36 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1f6k h MET 37 N -0.02 0.00 -5.99 1.97 2.86 -1.00 -3.46 114.93 109.29 1f6k h MET 37 Ca -0.20 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.02 1f6k h MET 37 Cb 1.30 0.00 0.08 0.00 0.06 0.00 0.00 31.60 33.05 1f6k h MET 37 CO -0.04 0.24 -0.73 1.63 1.06 0.00 0.00 176.91 179.07 1f6k n LYS 38 N -3.21 -6.85 -1.32 1.72 4.76 -0.45 -4.37 118.16 108.44 1f6k n LYS 38 Ca 0.02 0.74 -0.32 0.00 -2.87 0.00 0.00 58.31 55.89 1f6k n LYS 38 Cb 0.56 -5.71 0.09 0.00 -1.84 0.00 0.00 35.03 28.14 1f6k n LYS 38 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1f6k s VAL 39 N -3.35 2.98 -0.10 -0.18 -7.23 -1.09 -4.93 120.40 106.49 1f6k s VAL 39 Ca 0.50 0.37 0.14 0.00 -1.81 0.00 0.00 61.98 61.18 1f6k s VAL 39 Cb -0.23 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 33.95 1f6k s VAL 39 CO 0.77 -0.36 1.45 0.44 -0.31 0.00 0.00 175.10 177.08 1f6k h ASP 40 N -0.85 0.00 -5.36 4.85 3.32 -1.08 -3.47 116.42 113.83 1f6k h ASP 40 Ca -0.45 0.00 0.16 0.00 0.02 0.00 0.00 57.03 56.76 1f6k h ASP 40 Cb 1.25 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 1f6k h ASP 40 CO 0.50 0.54 0.53 -0.83 -1.72 0.00 0.00 179.24 178.27 1f6k s GLY 41 N -4.48 -0.01 0.01 2.75 0.00 -1.03 -2.21 107.32 102.36 1f6k s GLY 41 Ca 0.03 -0.17 0.08 0.00 0.00 0.00 0.00 44.72 44.67 1f6k s GLY 41 CO 0.75 1.27 -0.24 1.08 0.00 0.00 0.00 173.10 175.96 1f6k s LEU 42 N -3.20 2.11 -0.37 0.66 1.43 -0.66 -1.93 118.68 116.72 1f6k s LEU 42 Ca 0.18 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1f6k s LEU 42 Cb -0.02 -1.22 0.08 0.00 0.03 0.00 0.00 46.19 45.06 1f6k s LEU 42 CO 0.04 0.26 0.14 -0.47 0.23 0.00 0.00 176.35 176.56 1f6k s TYR 43 N -0.69 3.44 -0.12 0.29 5.04 -0.23 -1.45 117.35 123.64 1f6k s TYR 43 Ca 0.10 -2.09 -0.05 0.00 -2.44 0.00 0.00 57.07 52.58 1f6k s TYR 43 Cb -0.09 -2.79 -0.04 0.00 0.35 0.00 0.00 41.96 39.39 1f6k s TYR 43 CO 0.01 -0.89 0.08 0.08 -1.34 0.00 0.00 175.55 173.49 1f6k s VAL 44 N 1.22 4.99 0.00 3.14 1.01 -0.14 -1.06 120.40 129.55 1f6k s VAL 44 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1f6k s VAL 44 Cb -0.22 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1f6k s VAL 44 CO -0.02 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1f6k n GLY 45 N 2.34 0.61 0.00 4.51 0.00 -1.26 -0.55 105.19 110.83 1f6k n GLY 45 Ca -0.19 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1f6k n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f6k n GLY 46 N -2.67 -0.18 0.30 -0.02 0.00 -1.26 -4.60 105.19 96.75 1f6k n GLY 46 Ca 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.25 1f6k n GLY 46 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f6k h SER 47 N 0.00 0.62 0.08 1.61 0.02 -1.97 -1.44 113.55 112.48 1f6k h SER 47 Ca 0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1f6k h SER 47 Cb 0.00 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1f6k h SER 47 CO 0.00 0.35 -0.05 0.74 -1.14 0.00 0.00 176.83 176.73 1f6k h THR 48 N 0.74 0.79 -0.14 -2.27 2.02 -1.91 -1.48 112.91 110.66 1f6k h THR 48 Ca 0.39 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.39 1f6k h THR 48 Cb 0.39 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1f6k h THR 48 CO -0.26 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.29 1f6k n GLY 49 N -1.25 -0.28 2.44 2.16 0.00 -0.54 -4.41 105.19 103.30 1f6k n GLY 49 Ca -0.03 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 1f6k n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f6k n GLU 50 N -0.10 -1.47 -0.19 1.61 1.02 -0.56 -4.53 120.64 116.43 1f6k n GLU 50 Ca 0.09 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.25 1f6k n GLU 50 Cb 0.16 -5.50 0.10 0.00 -0.02 0.00 0.00 31.44 26.18 1f6k n GLU 50 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1f6k h ASN 51 N 0.00 0.07 0.33 1.62 -0.73 -1.74 -2.34 115.58 112.79 1f6k h ASN 51 Ca -0.44 0.10 0.00 0.00 1.87 0.00 0.00 56.30 57.83 1f6k h ASN 51 Cb 1.31 0.12 0.00 0.00 0.27 0.00 0.00 38.32 40.02 1f6k h ASN 51 CO 0.55 0.05 0.00 0.49 -0.37 0.00 0.00 177.43 178.15 1f6k n PHE 52 N -5.09 0.00 0.69 0.67 3.72 -1.26 -1.89 117.46 114.30 1f6k n PHE 52 Ca 0.08 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.60 1f6k n PHE 52 Cb 0.30 -0.23 0.27 0.00 -0.94 0.00 0.00 39.48 38.88 1f6k n PHE 52 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1f6k n MET 53 N -1.23 2.22 -4.20 -1.08 2.81 -0.88 -4.97 117.12 109.79 1f6k n MET 53 Ca 0.12 -1.83 -0.23 0.00 -1.81 0.00 0.00 57.70 53.94 1f6k n MET 53 Cb 0.15 -1.47 -0.07 0.00 -0.71 0.00 0.00 33.22 31.13 1f6k n MET 53 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1f6k s LEU 54 N -1.55 3.25 0.74 4.03 1.43 -0.79 -4.96 118.68 120.83 1f6k s LEU 54 Ca 0.36 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 1f6k s LEU 54 Cb 0.21 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.73 1f6k s LEU 54 CO 0.30 -0.16 1.13 -0.94 0.23 0.00 0.00 176.35 176.90 1f6k s SER 55 N -3.77 5.11 0.18 2.29 1.04 -1.26 -4.88 113.70 112.42 1f6k s SER 55 Ca 0.35 1.02 -0.13 0.00 0.48 0.00 0.00 55.95 57.66 1f6k s SER 55 Cb -0.04 -1.71 0.13 0.00 0.10 0.00 0.00 66.02 64.50 1f6k s SER 55 CO 0.21 -1.54 1.81 0.74 0.98 0.00 0.00 173.24 175.45 1f6k h THR 56 N -0.80 1.04 -0.80 2.02 2.02 -1.99 -0.20 112.91 114.20 1f6k h THR 56 Ca -0.45 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1f6k h THR 56 Cb 1.28 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1f6k h THR 56 CO 0.64 0.12 0.38 -0.08 0.37 0.00 0.00 175.52 176.95 1f6k h GLU 57 N 0.63 1.15 -0.60 6.66 4.57 -1.99 -0.70 114.58 124.29 1f6k h GLU 57 Ca 0.23 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 1f6k h GLU 57 Cb 0.05 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 1f6k h GLU 57 CO -0.11 0.89 0.01 0.93 -1.18 0.00 0.00 179.01 179.54 1f6k h GLU 58 N 1.14 1.05 -0.76 1.92 5.08 -1.72 -0.80 114.58 120.49 1f6k h GLU 58 Ca 0.27 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1f6k h GLU 58 Cb 0.12 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1f6k h GLU 58 CO -0.03 1.02 0.44 0.87 -1.00 0.00 0.00 179.01 180.31 1f6k h LYS 59 N 0.96 1.05 -0.58 2.33 1.57 -0.55 -1.67 116.57 119.68 1f6k h LYS 59 Ca 0.17 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1f6k h LYS 59 Cb 0.54 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1f6k h LYS 59 CO 0.03 0.76 0.23 0.87 -0.57 0.00 0.00 179.45 180.77 1f6k h LYS 60 N 1.05 0.86 -0.62 3.15 1.57 -0.73 -1.68 116.57 120.16 1f6k h LYS 60 Ca 0.27 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1f6k h LYS 60 Cb -0.00 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1f6k h LYS 60 CO -0.05 0.74 0.39 1.49 -0.57 0.00 0.00 179.45 181.46 1f6k h GLU 61 N 0.80 0.75 -0.77 3.15 4.81 -0.80 0.22 114.58 122.74 1f6k h GLU 61 Ca 0.19 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1f6k h GLU 61 Cb 0.20 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1f6k h GLU 61 CO -0.02 0.50 0.40 0.82 -0.73 0.00 0.00 179.01 179.98 1f6k h ILE 62 N 0.77 1.24 -0.71 2.32 2.04 -1.06 -0.81 117.51 121.30 1f6k h ILE 62 Ca 0.24 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1f6k h ILE 62 Cb -0.01 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1f6k h ILE 62 CO -0.09 0.27 0.37 -0.26 0.00 0.00 0.00 178.15 178.43 1f6k h PHE 63 N 1.07 1.00 0.01 1.37 0.04 -0.60 -0.74 116.94 119.10 1f6k h PHE 63 Ca 0.27 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 61.00 1f6k h PHE 63 Cb 0.06 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.90 1f6k h PHE 63 CO 0.00 0.72 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.34 1f6k h ARG 64 N 0.98 -0.02 -0.21 1.51 2.43 -0.55 -2.40 114.38 116.12 1f6k h ARG 64 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1f6k h ARG 64 Cb 0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1f6k h ARG 64 CO -0.04 0.10 0.14 0.82 -1.51 0.00 0.00 179.97 179.48 1f6k h ILE 65 N -0.13 1.06 -0.66 1.20 2.04 -1.02 -0.58 117.51 119.42 1f6k h ILE 65 Ca -0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1f6k h ILE 65 Cb 0.13 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1f6k h ILE 65 CO 0.00 0.06 0.43 0.00 0.00 0.00 0.00 178.15 178.64 1f6k h ALA 66 N 1.07 0.84 -0.28 1.87 0.00 -1.11 -0.25 119.26 121.40 1f6k h ALA 66 Ca 0.08 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1f6k h ALA 66 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1f6k h ALA 66 CO -0.02 0.28 -0.42 -0.22 0.00 0.00 0.00 179.25 178.87 1f6k h LYS 67 N 0.90 0.70 -0.71 0.00 1.63 -1.32 -0.54 116.57 117.24 1f6k h LYS 67 Ca 0.24 -0.37 -0.05 0.00 -0.85 0.00 0.00 60.65 59.62 1f6k h LYS 67 Cb -0.09 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 1f6k h LYS 67 CO -0.05 0.99 0.23 0.22 -3.45 0.00 0.00 179.45 177.39 1f6k h ASP 68 N 0.57 1.03 0.12 4.20 3.58 -0.77 0.54 116.42 125.69 1f6k h ASP 68 Ca 0.04 -0.20 -0.28 0.00 0.42 0.00 0.00 57.03 57.01 1f6k h ASP 68 Cb 0.96 -0.27 0.02 0.00 1.72 0.00 0.00 39.33 41.77 1f6k h ASP 68 CO 0.09 0.96 -1.16 -0.08 -2.88 0.00 0.00 179.24 176.17 1f6k h GLU 69 N 1.05 0.63 0.00 0.28 4.57 -0.89 -3.32 114.58 116.88 1f6k h GLU 69 Ca 0.23 -0.77 -0.06 0.00 -1.18 0.00 0.00 59.36 57.58 1f6k h GLU 69 Cb 0.29 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1f6k h GLU 69 CO -0.01 1.34 -0.54 0.00 -1.18 0.00 0.00 179.01 178.62 1f6k h ALA 70 N 0.38 0.75 -0.32 2.92 0.00 -1.06 -3.49 119.26 118.44 1f6k h ALA 70 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1f6k h ALA 70 Cb 1.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1f6k h ALA 70 CO 0.22 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.45 1f6k n LYS 71 N -3.05 0.00 -0.34 0.00 5.02 0.17 -1.52 118.16 118.44 1f6k n LYS 71 Ca 0.01 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1f6k n LYS 71 Cb 0.65 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.89 1f6k n LYS 71 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1f6k n ASP 72 N 3.48 3.47 0.07 4.39 8.00 -1.26 -4.72 116.55 129.98 1f6k n ASP 72 Ca 0.00 -2.98 0.01 0.00 0.71 0.00 0.00 54.79 52.53 1f6k n ASP 72 Cb 0.00 -0.50 0.33 0.00 -0.02 0.00 0.00 41.12 40.93 1f6k n ASP 72 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1f6k h GLN 73 N 1.37 0.34 -4.23 -1.24 4.20 -1.67 -3.45 115.11 110.42 1f6k h GLN 73 Ca 0.00 -0.09 -0.18 0.00 0.06 0.00 0.00 58.65 58.44 1f6k h GLN 73 Cb 1.30 -0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.91 1f6k h GLN 73 CO 0.16 0.47 -0.41 0.96 -0.67 0.00 0.00 178.83 179.34 1f6k s ILE 74 N -4.71 0.00 0.42 2.54 -4.36 -1.26 -5.07 121.20 108.75 1f6k s ILE 74 Ca -0.06 -1.77 -0.22 0.00 -0.26 0.00 0.00 60.65 58.34 1f6k s ILE 74 Cb 0.15 -2.40 -0.10 0.00 1.25 0.00 0.00 42.46 41.37 1f6k s ILE 74 CO 0.75 0.00 0.99 0.00 0.24 0.00 0.00 174.94 176.92 1f6k s ALA 75 N -4.05 3.03 -0.07 2.27 0.00 -0.94 -4.94 121.76 117.07 1f6k s ALA 75 Ca 0.33 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1f6k s ALA 75 Cb 0.04 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1f6k s ALA 75 CO 0.12 -0.03 -0.05 -0.51 0.00 0.00 0.00 175.76 175.28 1f6k s LEU 76 N -2.99 1.16 -0.09 0.00 1.43 -1.26 -1.66 118.68 115.27 1f6k s LEU 76 Ca 0.61 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1f6k s LEU 76 Cb -0.15 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 1f6k s LEU 76 CO 0.19 -0.09 -0.09 -0.63 0.23 0.00 0.00 176.35 175.96 1f6k s ILE 77 N 1.29 3.44 -0.25 -0.59 1.01 -0.53 -0.67 121.20 124.89 1f6k s ILE 77 Ca -0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 1f6k s ILE 77 Cb -0.14 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 1f6k s ILE 77 CO -0.02 0.56 0.00 0.00 0.00 0.00 0.00 174.94 175.48 1f6k s ALA 78 N -0.34 2.91 -0.24 9.38 0.00 -0.63 -0.97 121.76 131.87 1f6k s ALA 78 Ca 0.04 -1.29 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 1f6k s ALA 78 Cb -0.13 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1f6k s ALA 78 CO 0.02 -0.63 0.92 -1.14 0.00 0.00 0.00 175.76 174.93 1f6k s GLN 79 N 1.48 4.22 -0.01 0.00 -0.44 0.28 -0.83 119.66 124.36 1f6k s GLN 79 Ca 0.04 1.11 0.01 0.00 -2.50 0.00 0.00 55.36 54.03 1f6k s GLN 79 Cb -0.16 -3.64 0.02 0.00 -1.64 0.00 0.00 33.01 27.59 1f6k s GLN 79 CO -0.01 -0.56 0.89 1.33 0.50 0.00 0.00 175.29 177.44 1f6k n VAL 80 N 5.27 0.79 -1.21 1.34 0.24 -0.18 -4.62 118.33 119.96 1f6k n VAL 80 Ca 0.08 -0.81 -0.31 0.00 -2.04 0.00 0.00 64.34 61.26 1f6k n VAL 80 Cb 0.47 0.58 0.11 0.00 -1.47 0.00 0.00 33.84 33.52 1f6k n VAL 80 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1f6k s GLY 81 N -0.87 1.66 0.06 7.63 0.00 -1.25 -4.18 107.32 110.36 1f6k s GLY 81 Ca 0.02 0.17 -0.28 0.00 0.00 0.00 0.00 44.72 44.63 1f6k s GLY 81 CO 0.00 0.57 1.11 -0.45 0.00 0.00 0.00 173.10 174.33 1f6k s SER 82 N -3.37 -0.13 0.40 1.64 0.15 -1.26 -4.78 113.70 106.35 1f6k s SER 82 Ca 0.62 -0.25 0.22 0.00 0.70 0.00 0.00 55.95 57.24 1f6k s SER 82 Cb -0.18 0.33 0.55 0.00 -1.71 0.00 0.00 66.02 65.01 1f6k s SER 82 CO 0.56 -0.60 1.67 0.58 1.20 0.00 0.00 173.24 176.65 1f6k h VAL 83 N 2.00 0.46 -3.31 4.45 2.07 -1.92 -3.41 116.25 116.59 1f6k h VAL 83 Ca -0.26 -1.38 -0.70 0.00 0.82 0.00 0.00 66.70 65.18 1f6k h VAL 83 Cb 1.22 2.01 -0.19 0.00 -1.52 0.00 0.00 31.29 32.81 1f6k h VAL 83 CO 0.27 0.23 -0.07 0.21 0.02 0.00 0.00 177.57 178.24 1f6k s ASN 84 N -6.23 6.21 0.32 0.57 3.84 -1.26 -4.93 114.94 113.45 1f6k s ASN 84 Ca 0.03 -0.96 0.04 0.00 0.21 0.00 0.00 52.86 52.18 1f6k s ASN 84 Cb 0.08 -2.26 0.53 0.00 -0.55 0.00 0.00 41.25 39.06 1f6k s ASN 84 CO 0.67 -0.80 1.82 0.25 -2.79 0.00 0.00 177.10 176.25 1f6k h LEU 85 N 9.41 0.49 -1.04 3.21 5.85 -2.00 -1.34 115.31 129.89 1f6k h LEU 85 Ca -0.27 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 1f6k h LEU 85 Cb 1.10 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1f6k h LEU 85 CO 0.92 0.62 -0.07 0.11 -0.34 0.00 0.00 178.44 179.69 1f6k h LYS 86 N 0.47 0.61 -0.45 1.25 1.79 -1.97 -0.93 116.57 117.34 1f6k h LYS 86 Ca 0.09 -0.17 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 1f6k h LYS 86 Cb 0.45 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1f6k h LYS 86 CO 0.02 0.68 -0.26 1.49 -1.08 0.00 0.00 179.45 180.30 1f6k h GLU 87 N 0.57 0.95 -0.72 3.15 4.81 -1.81 -1.10 114.58 120.43 1f6k h GLU 87 Ca 0.11 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 58.86 1f6k h GLU 87 Cb 0.46 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1f6k h GLU 87 CO 0.02 1.09 0.22 0.00 -0.73 0.00 0.00 179.01 179.61 1f6k h ALA 88 N 0.89 1.03 -0.42 2.92 0.00 -0.70 0.42 119.26 123.41 1f6k h ALA 88 Ca 0.10 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1f6k h ALA 88 Cb 0.83 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1f6k h ALA 88 CO 0.07 0.65 -0.05 0.28 0.00 0.00 0.00 179.25 180.20 1f6k h VAL 89 N 1.07 1.27 -0.57 0.00 2.07 -1.07 0.16 116.25 119.16 1f6k h VAL 89 Ca 0.23 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1f6k h VAL 89 Cb 0.30 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1f6k h VAL 89 CO -0.01 0.38 0.28 -0.08 0.02 0.00 0.00 177.57 178.16 1f6k h GLU 90 N 0.60 0.82 -0.48 1.57 4.81 -0.71 0.35 114.58 121.53 1f6k h GLU 90 Ca 0.11 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1f6k h GLU 90 Cb 0.56 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1f6k h GLU 90 CO 0.03 0.66 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.71 1f6k h LEU 91 N 0.77 0.99 -0.90 1.64 3.38 -0.85 -2.11 115.31 118.24 1f6k h LEU 91 Ca 0.20 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1f6k h LEU 91 Cb 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1f6k h LEU 91 CO -0.03 1.15 0.22 1.23 0.09 0.00 0.00 178.44 181.10 1f6k h GLY 92 N 0.90 1.10 0.95 0.83 0.00 -0.22 -0.11 103.07 106.52 1f6k h GLY 92 Ca 0.11 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1f6k h GLY 92 CO 0.06 0.59 0.07 0.50 0.00 0.00 0.00 176.54 177.75 1f6k h LYS 93 N 1.00 0.71 -0.23 4.80 1.57 -0.79 -1.25 116.57 122.37 1f6k h LYS 93 Ca 0.22 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1f6k h LYS 93 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1f6k h LYS 93 CO -0.01 0.74 0.11 -0.92 -0.57 0.00 0.00 179.45 178.80 1f6k h TYR 94 N 0.56 0.35 -0.76 -1.35 3.20 -1.07 0.96 116.97 118.86 1f6k h TYR 94 Ca 0.13 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1f6k h TYR 94 Cb 0.38 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1f6k h TYR 94 CO 0.03 0.35 0.32 0.00 -1.64 0.00 0.00 178.16 177.22 1f6k h ALA 95 N 0.96 1.13 -0.45 1.82 0.00 -0.98 -0.48 119.26 121.26 1f6k h ALA 95 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1f6k h ALA 95 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1f6k h ALA 95 CO -0.01 0.63 0.23 1.15 0.00 0.00 0.00 179.25 181.25 1f6k h THR 96 N 1.10 1.18 -0.81 0.00 2.02 -0.90 -1.80 112.91 113.69 1f6k h THR 96 Ca 0.26 -0.48 0.05 0.00 0.77 0.00 0.00 66.41 67.00 1f6k h THR 96 Cb 0.18 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1f6k h THR 96 CO -0.03 0.19 0.50 -0.33 0.37 0.00 0.00 175.52 176.23 1f6k h GLU 97 N 0.59 0.91 0.00 6.66 5.08 -0.11 -1.39 114.58 126.32 1f6k h GLU 97 Ca 0.16 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1f6k h GLU 97 Cb 0.10 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1f6k h GLU 97 CO -0.02 0.60 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.51 1f6k h LEU 98 N 0.94 0.00 0.00 1.33 3.38 -0.78 -3.47 115.31 116.71 1f6k h LEU 98 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1f6k h LEU 98 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1f6k h LEU 98 CO -0.15 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.00 1f6k n GLY 99 N -0.38 1.17 3.65 0.83 0.00 -0.52 -5.03 105.19 104.92 1f6k n GLY 99 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1f6k n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1f6k n TYR 100 N -1.49 1.44 0.15 1.61 4.02 -0.73 -4.90 117.16 117.27 1f6k n TYR 100 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 57.90 58.37 1f6k n TYR 100 Cb 0.00 -2.25 0.22 0.00 -0.02 0.00 0.00 39.34 37.29 1f6k n TYR 100 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1f6k h ASP 101 N 1.23 0.00 -5.07 7.72 3.32 -1.25 -3.46 116.42 118.92 1f6k h ASP 101 Ca -0.48 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.71 1f6k h ASP 101 Cb 1.33 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.78 1f6k h ASP 101 CO 0.55 0.55 0.45 0.00 -1.72 0.00 0.00 179.24 179.08 1f6k s LEU 103 N -2.78 3.90 0.07 0.00 1.43 -0.60 -1.61 118.68 119.08 1f6k s LEU 103 Ca 0.09 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1f6k s LEU 103 Cb -0.02 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1f6k s LEU 103 CO -0.02 -0.14 -0.05 -0.55 0.23 0.00 0.00 176.35 175.82 1f6k s SER 104 N -3.93 0.80 -0.24 2.29 0.15 -0.01 -0.74 113.70 112.01 1f6k s SER 104 Ca 0.36 -0.98 -0.12 0.00 0.70 0.00 0.00 55.95 55.90 1f6k s SER 104 Cb -0.08 0.14 0.08 0.00 -1.71 0.00 0.00 66.02 64.46 1f6k s SER 104 CO 0.27 -0.52 0.58 0.00 1.20 0.00 0.00 173.24 174.76 1f6k s ALA 105 N -3.67 -1.60 0.80 5.45 0.00 -0.96 -1.01 121.76 120.76 1f6k s ALA 105 Ca 0.08 2.07 -0.12 0.00 0.00 0.00 0.00 51.96 53.99 1f6k s ALA 105 Cb 0.06 -1.35 0.08 0.00 0.00 0.00 0.00 23.12 21.91 1f6k s ALA 105 CO -0.07 -0.49 1.15 0.14 0.00 0.00 0.00 175.76 176.49 1f6k s VAL 106 N 1.92 2.50 0.41 0.00 -7.23 -1.26 -4.00 120.40 112.74 1f6k s VAL 106 Ca -0.08 0.19 -0.25 0.00 -1.81 0.00 0.00 61.98 60.03 1f6k s VAL 106 Cb -0.08 -2.53 -0.08 0.00 0.56 0.00 0.00 36.38 34.25 1f6k s VAL 106 CO -0.17 -0.18 1.19 0.42 -0.31 0.00 0.00 175.10 176.05 1f6k s THR 107 N -2.46 3.04 0.26 5.32 -4.23 -1.26 -4.54 115.64 111.77 1f6k s THR 107 Ca 0.68 0.86 -0.31 0.00 -1.18 0.00 0.00 61.69 61.75 1f6k s THR 107 Cb -0.23 -3.48 -0.13 0.00 1.34 0.00 0.00 72.50 70.00 1f6k s THR 107 CO 0.52 0.07 1.47 -0.81 -0.54 0.00 0.00 174.62 175.33 1f6k n PRO 108 N -0.04 2.28 -0.38 3.99 -0.04 -1.26 -4.89 135.00 134.66 1f6k n PRO 108 Ca 0.05 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1f6k n PRO 108 Cb 0.46 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1f6k n PRO 108 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1f6k n PHE 109 N 1.91 -0.01 0.00 0.54 -1.74 -1.26 -4.71 117.46 112.19 1f6k n PHE 109 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.99 1f6k n PHE 109 Cb 0.34 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.34 1f6k n PHE 109 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 1f6k n TYR 110 N -0.00 0.00 -2.49 2.97 9.36 -1.26 -4.78 117.16 120.96 1f6k n TYR 110 Ca 0.00 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.96 1f6k n TYR 110 Cb 0.00 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 38.74 1f6k n TYR 110 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1f6k s TYR 111 N 0.00 3.26 -0.76 2.98 2.02 -1.26 -5.05 117.35 118.54 1f6k s TYR 111 Ca 0.00 0.59 -0.23 0.00 -0.37 0.00 0.00 57.07 57.06 1f6k s TYR 111 Cb 0.00 -2.66 0.07 0.00 -0.40 0.00 0.00 41.96 38.97 1f6k s TYR 111 CO 0.00 -0.74 1.10 0.15 -1.57 0.00 0.00 175.55 174.50 1f6k s LYS 112 N -4.92 3.25 0.28 -0.62 -0.14 -1.26 -5.02 119.74 111.31 1f6k s LYS 112 Ca 0.53 -0.90 -0.17 0.00 -1.36 0.00 0.00 55.97 54.07 1f6k s LYS 112 Cb -0.10 -4.45 -0.09 0.00 -1.68 0.00 0.00 37.83 31.51 1f6k s LYS 112 CO 0.44 -1.91 0.73 -0.06 -0.76 0.00 0.00 175.35 173.78 1f6k s PHE 113 N 4.25 3.50 0.84 3.18 0.08 -1.26 -5.04 117.98 123.52 1f6k s PHE 113 Ca 0.29 1.29 -0.12 0.00 0.12 0.00 0.00 56.93 58.51 1f6k s PHE 113 Cb -0.11 -2.57 0.10 0.00 -0.57 0.00 0.00 43.02 39.86 1f6k s PHE 113 CO 0.06 0.20 1.16 -1.54 -0.10 0.00 0.00 175.22 175.00 1f6k s SER 114 N -2.00 4.20 0.08 1.36 1.04 -1.26 -4.86 113.70 112.26 1f6k s SER 114 Ca 0.49 0.88 -0.23 0.00 0.48 0.00 0.00 55.95 57.57 1f6k s SER 114 Cb -0.13 -1.43 -0.14 0.00 0.10 0.00 0.00 66.02 64.42 1f6k s SER 114 CO 0.19 -2.11 1.67 0.15 0.98 0.00 0.00 173.24 174.12 1f6k h PHE 115 N -1.19 0.05 -0.96 5.02 3.57 -1.99 -1.91 116.94 119.52 1f6k h PHE 115 Ca -0.48 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.26 1f6k h PHE 115 Cb 1.32 -0.02 -0.12 0.00 2.79 0.00 0.00 35.95 39.92 1f6k h PHE 115 CO 0.32 0.12 0.51 -1.35 -2.23 0.00 0.00 178.31 175.68 1f6k h PRO 116 N -0.03 0.49 -0.56 6.41 0.11 -1.99 0.19 132.00 136.63 1f6k h PRO 116 Ca 0.01 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 1f6k h PRO 116 Cb 0.08 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1f6k h PRO 116 CO -0.00 0.33 -0.02 0.93 -0.21 0.00 0.00 178.00 179.02 1f6k h GLU 117 N 0.51 1.00 -0.52 1.05 5.08 -1.80 -1.19 114.58 118.71 1f6k h GLU 117 Ca 0.61 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1f6k h GLU 117 Cb 1.16 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1f6k h GLU 117 CO -0.50 1.01 0.13 0.82 -1.00 0.00 0.00 179.01 179.47 1f6k h ILE 118 N 0.88 1.24 -0.47 3.13 2.04 0.04 -0.70 117.51 123.67 1f6k h ILE 118 Ca 0.15 -0.85 -0.13 0.00 1.00 0.00 0.00 64.86 65.03 1f6k h ILE 118 Cb 0.57 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1f6k h ILE 118 CO 0.03 0.31 -0.23 0.50 0.00 0.00 0.00 178.15 178.76 1f6k h LYS 119 N 0.72 0.99 -0.53 2.37 3.64 -0.91 -2.02 116.57 120.83 1f6k h LYS 119 Ca 0.16 -0.43 -0.04 0.00 -1.27 0.00 0.00 60.65 59.07 1f6k h LYS 119 Cb 0.33 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1f6k h LYS 119 CO 0.00 1.11 0.17 1.25 -2.27 0.00 0.00 179.45 179.71 1f6k h HIS 120 N 0.84 0.79 0.10 1.91 2.76 -1.03 0.44 115.15 120.96 1f6k h HIS 120 Ca 0.10 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1f6k h HIS 120 Cb 0.82 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.54 1f6k h HIS 120 CO 0.05 0.64 -0.06 -0.92 -1.30 0.00 0.00 177.93 176.35 1f6k h TYR 121 N 0.76 -0.15 -0.55 5.26 5.03 -0.72 -0.27 116.97 126.33 1f6k h TYR 121 Ca 0.18 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.42 1f6k h TYR 121 Cb 0.22 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.53 1f6k h TYR 121 CO 0.01 -0.09 0.10 1.88 -1.32 0.00 0.00 178.16 178.74 1f6k h TYR 122 N -0.15 0.97 -0.22 -3.82 0.05 -1.04 -2.14 116.97 110.62 1f6k h TYR 122 Ca -0.01 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.59 1f6k h TYR 122 Cb 0.12 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1f6k h TYR 122 CO -0.08 0.85 -0.08 -0.44 -1.05 0.00 0.00 178.16 177.35 1f6k h ASP 123 N 0.80 0.32 -0.16 3.88 3.32 -0.78 -1.77 116.42 122.04 1f6k h ASP 123 Ca 0.17 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1f6k h ASP 123 Cb 0.39 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1f6k h ASP 123 CO 0.01 0.45 -0.11 0.74 -1.72 0.00 0.00 179.24 178.61 1f6k h THR 124 N 0.33 1.33 -0.39 0.35 2.02 -0.76 0.58 112.91 116.37 1f6k h THR 124 Ca 0.07 -1.21 0.02 0.00 0.77 0.00 0.00 66.41 66.06 1f6k h THR 124 Cb 0.36 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 1f6k h THR 124 CO 0.02 0.36 0.23 0.40 0.37 0.00 0.00 175.52 176.90 1f6k h ILE 125 N 0.00 1.04 -0.07 3.11 2.04 -1.16 -0.56 117.51 121.91 1f6k h ILE 125 Ca 0.03 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1f6k h ILE 125 Cb 0.61 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1f6k h ILE 125 CO 0.03 0.09 0.04 0.40 0.00 0.00 0.00 178.15 178.70 1f6k h ILE 126 N 0.47 1.11 -0.79 -0.67 2.04 -1.26 -2.35 117.51 116.06 1f6k h ILE 126 Ca 0.15 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1f6k h ILE 126 Cb 0.00 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1f6k h ILE 126 CO -0.07 0.09 0.43 0.00 0.00 0.00 0.00 178.15 178.61 1f6k h ALA 127 N 0.91 1.01 0.00 1.87 0.00 -0.60 0.80 119.26 123.25 1f6k h ALA 127 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1f6k h ALA 127 Cb 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1f6k h ALA 127 CO -0.00 0.52 -0.17 0.93 0.00 0.00 0.00 179.25 180.53 1f6k h GLU 128 N 1.09 0.00 0.00 0.00 4.39 -1.09 -3.33 114.58 115.64 1f6k h GLU 128 Ca 0.28 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.68 1f6k h GLU 128 Cb 0.03 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1f6k h GLU 128 CO -0.04 0.17 -2.12 0.25 -1.16 0.00 0.00 179.01 176.11 1f6k n THR 129 N -3.20 1.12 -0.95 1.13 -2.24 -0.89 -4.92 114.28 104.33 1f6k n THR 129 Ca 0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1f6k n THR 129 Cb 0.51 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1f6k n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f6k n GLY 130 N 2.01 0.70 3.95 3.38 0.00 0.26 -4.95 105.19 110.53 1f6k n GLY 130 Ca -0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 1f6k n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f6k s SER 131 N -2.38 6.33 0.73 1.61 0.01 -1.25 -5.07 113.70 113.68 1f6k s SER 131 Ca 0.00 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.31 1f6k s SER 131 Cb 0.00 -1.90 0.03 0.00 0.21 0.00 0.00 66.02 64.35 1f6k s SER 131 CO 0.00 0.04 1.07 0.20 0.41 0.00 0.00 173.24 174.97 1f6k s ASN 132 N -3.28 5.09 -0.00 2.44 0.01 -1.26 -4.64 114.94 113.29 1f6k s ASN 132 Ca 0.34 1.54 0.02 0.00 -0.71 0.00 0.00 52.86 54.05 1f6k s ASN 132 Cb -0.11 -2.37 -0.00 0.00 0.41 0.00 0.00 41.25 39.18 1f6k s ASN 132 CO 0.28 -1.62 -0.06 -0.32 -1.51 0.00 0.00 177.10 173.88 1f6k s MET 133 N -5.07 0.45 -0.21 -0.60 0.00 -0.02 -1.56 119.30 112.28 1f6k s MET 133 Ca 0.59 -0.20 -0.05 0.00 0.00 0.00 0.00 55.69 56.03 1f6k s MET 133 Cb -0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 34.83 34.23 1f6k s MET 133 CO 0.55 0.12 -0.00 0.42 0.00 0.00 0.00 175.02 176.11 1f6k s ILE 134 N -0.13 3.84 0.60 10.11 1.01 0.08 -0.77 121.20 135.94 1f6k s ILE 134 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1f6k s ILE 134 Cb -0.02 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.75 1f6k s ILE 134 CO -0.00 0.41 0.85 0.68 0.00 0.00 0.00 174.94 176.88 1f6k s VAL 135 N 1.23 2.53 0.15 2.92 -7.23 -0.61 -2.26 120.40 117.12 1f6k s VAL 135 Ca 0.03 -0.56 0.07 0.00 -1.81 0.00 0.00 61.98 59.72 1f6k s VAL 135 Cb -0.15 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 1f6k s VAL 135 CO 0.01 0.00 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.44 1f6k s TYR 136 N -2.92 2.78 0.00 2.82 4.12 -1.26 -0.40 117.35 122.50 1f6k s TYR 136 Ca 0.59 -0.15 0.00 0.00 0.02 0.00 0.00 57.07 57.53 1f6k s TYR 136 Cb -0.10 -1.38 0.00 0.00 -1.52 0.00 0.00 41.96 38.96 1f6k s TYR 136 CO 0.40 0.49 0.00 0.45 0.02 0.00 0.00 175.55 176.92 1f6k n SER 137 N 0.17 0.00 -0.46 2.29 2.88 -1.11 -4.86 113.62 112.53 1f6k n SER 137 Ca -0.11 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.49 1f6k n SER 137 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 1f6k n SER 137 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1f6k n MET 146 N -0.89 -1.07 -2.45 -1.46 2.81 -1.26 -1.60 117.12 111.20 1f6k n MET 146 Ca 0.00 0.87 -0.08 0.00 -1.81 0.00 0.00 57.70 56.68 1f6k n MET 146 Cb 0.00 -1.25 -0.01 0.00 -0.71 0.00 0.00 33.22 31.25 1f6k n MET 146 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f6k n GLY 147 N -2.79 3.57 0.32 3.03 0.00 -1.26 -4.98 105.19 103.09 1f6k n GLY 147 Ca -0.03 -2.23 -0.04 0.00 0.00 0.00 0.00 46.02 43.72 1f6k n GLY 147 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1f6k h ILE 148 N 0.84 1.23 -0.55 -0.61 1.08 -1.98 -0.70 117.51 116.82 1f6k h ILE 148 Ca -0.10 -0.48 -0.08 0.00 -0.39 0.00 0.00 64.86 63.81 1f6k h ILE 148 Cb 0.34 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 1f6k h ILE 148 CO 0.17 0.23 0.03 -0.08 -0.69 0.00 0.00 178.15 177.81 1f6k h GLU 149 N 1.12 0.92 -0.12 2.37 4.22 -1.99 -1.51 114.58 119.58 1f6k h GLU 149 Ca 0.29 -0.25 -0.19 0.00 0.08 0.00 0.00 59.36 59.29 1f6k h GLU 149 Cb -0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1f6k h GLU 149 CO -0.06 0.89 -0.72 1.96 -2.18 0.00 0.00 179.01 178.91 1f6k h GLN 150 N 0.86 0.56 -0.75 1.92 4.20 -1.86 -2.34 115.11 117.70 1f6k h GLN 150 Ca 0.17 -0.44 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 1f6k h GLN 150 Cb 0.46 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1f6k h GLN 150 CO 0.02 1.07 0.29 0.74 -0.67 0.00 0.00 178.83 180.28 1f6k h PHE 151 N 0.39 1.14 -0.86 2.96 0.04 -1.00 -0.87 116.94 118.74 1f6k h PHE 151 Ca -0.03 -0.09 0.07 0.00 2.80 0.00 0.00 57.97 60.72 1f6k h PHE 151 Cb 1.31 -0.34 -0.06 0.00 2.20 0.00 0.00 35.95 39.05 1f6k h PHE 151 CO 0.06 0.87 0.53 0.78 -0.60 0.00 0.00 178.31 179.95 1f6k h GLY 152 N 1.13 1.31 1.01 -1.45 0.00 -1.03 0.31 103.07 104.35 1f6k h GLY 152 Ca 0.25 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1f6k h GLY 152 CO -0.02 0.24 0.10 0.83 0.00 0.00 0.00 176.54 177.69 1f6k h GLU 153 N 0.95 0.91 -0.70 4.80 4.39 -0.87 -2.19 114.58 121.86 1f6k h GLU 153 Ca 0.38 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1f6k h GLU 153 Cb 0.21 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1f6k h GLU 153 CO -0.19 0.87 0.29 -0.07 -1.16 0.00 0.00 179.01 178.75 1f6k h LEU 154 N 0.80 0.97 0.00 1.33 3.38 -0.27 -2.71 115.31 118.81 1f6k h LEU 154 Ca 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f6k h LEU 154 Cb 0.40 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1f6k h LEU 154 CO 0.01 0.87 0.00 -1.22 0.09 0.00 0.00 178.44 178.19 1f6k n TYR 155 N -4.37 0.00 0.25 1.13 4.01 0.10 -2.29 117.16 116.00 1f6k n TYR 155 Ca 0.05 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.94 1f6k n TYR 155 Cb 0.17 -0.06 0.56 0.00 -0.31 0.00 0.00 39.34 39.70 1f6k n TYR 155 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1f6k h LYS 156 N 0.00 0.00 -5.91 -0.72 1.57 -1.07 -3.39 116.57 107.06 1f6k h LYS 156 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1f6k h LYS 156 Cb 0.05 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.26 1f6k h LYS 156 CO 0.00 0.07 0.52 1.21 -0.57 0.00 0.00 179.45 180.68 1f6k s ASN 157 N -5.90 6.74 0.27 0.86 3.84 -0.97 -4.92 114.94 114.85 1f6k s ASN 157 Ca 0.02 0.76 0.22 0.00 0.21 0.00 0.00 52.86 54.07 1f6k s ASN 157 Cb 0.09 -2.44 1.02 0.00 -0.55 0.00 0.00 41.25 39.37 1f6k s ASN 157 CO 0.59 -0.68 1.66 -0.81 -2.79 0.00 0.00 177.10 175.06 1f6k n PRO 158 N 6.38 0.16 -0.04 0.43 -0.04 -1.26 -1.85 135.00 138.77 1f6k n PRO 158 Ca 0.06 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1f6k n PRO 158 Cb 0.48 -1.89 0.41 0.00 -0.04 0.00 0.00 33.50 32.45 1f6k n PRO 158 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1f6k n LYS 159 N -2.21 1.82 -2.93 0.54 5.02 -1.26 -4.77 118.16 114.37 1f6k n LYS 159 Ca 0.01 -1.20 -0.42 0.00 -2.02 0.00 0.00 58.31 54.67 1f6k n LYS 159 Cb 0.14 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 1f6k n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1f6k s VAL 160 N -1.89 4.82 -0.19 -0.18 1.01 -0.77 -0.84 120.40 122.36 1f6k s VAL 160 Ca 0.35 1.36 0.19 0.00 0.00 0.00 0.00 61.98 63.88 1f6k s VAL 160 Cb 0.20 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1f6k s VAL 160 CO 0.30 -0.16 1.05 -0.07 0.00 0.00 0.00 175.10 176.23 1f6k h LEU 161 N 9.31 0.00 0.00 3.92 3.38 -1.25 -3.48 115.31 127.20 1f6k h LEU 161 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1f6k h LEU 161 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1f6k h LEU 161 CO 0.87 0.32 0.00 0.61 0.09 0.00 0.00 178.44 180.33 1f6k n GLY 162 N 1.27 -0.38 3.01 0.83 0.00 -1.26 -1.18 105.19 107.48 1f6k n GLY 162 Ca -0.03 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 1f6k n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6k s VAL 163 N -2.90 0.50 -0.60 1.61 0.11 -0.31 -1.58 120.40 117.23 1f6k s VAL 163 Ca 0.00 -0.61 -0.22 0.00 -2.93 0.00 0.00 61.98 58.22 1f6k s VAL 163 Cb 0.00 -0.49 0.06 0.00 -1.53 0.00 0.00 36.38 34.43 1f6k s VAL 163 CO 0.00 -0.09 0.87 -0.75 -3.33 0.00 0.00 175.10 171.80 1f6k s LYS 164 N -0.77 3.16 -0.59 1.54 2.20 0.46 -1.41 119.74 124.34 1f6k s LYS 164 Ca -0.03 -0.74 -0.23 0.00 -0.36 0.00 0.00 55.97 54.61 1f6k s LYS 164 Cb -0.06 -4.16 0.05 0.00 -1.51 0.00 0.00 37.83 32.15 1f6k s LYS 164 CO 0.00 -1.60 0.93 0.12 -0.36 0.00 0.00 175.35 174.44 1f6k s PHE 165 N 3.64 2.76 -1.16 4.03 5.36 0.41 -2.77 117.98 130.26 1f6k s PHE 165 Ca 0.22 -0.26 0.11 0.00 -0.96 0.00 0.00 56.93 56.04 1f6k s PHE 165 Cb -0.17 -4.11 0.17 0.00 -0.34 0.00 0.00 43.02 38.57 1f6k s PHE 165 CO 0.12 -1.44 1.00 2.41 -1.46 0.00 0.00 175.22 175.85 1f6k n THR 166 N 6.04 0.40 -3.99 0.12 -1.04 -0.62 -0.60 114.28 114.59 1f6k n THR 166 Ca -0.01 -0.70 -0.35 0.00 -2.04 0.00 0.00 64.05 60.95 1f6k n THR 166 Cb 0.47 0.93 -0.09 0.00 -1.82 0.00 0.00 70.33 69.81 1f6k n THR 166 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f6k s ALA 167 N -0.94 3.44 -1.30 2.41 0.00 -1.23 -4.84 121.76 119.30 1f6k s ALA 167 Ca 0.16 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 51.23 1f6k s ALA 167 Cb 0.10 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 1f6k s ALA 167 CO 0.14 0.19 2.13 0.41 0.00 0.00 0.00 175.76 178.63 1f6k n GLY 168 N 3.48 3.85 2.80 0.00 0.00 -1.26 -4.76 105.19 109.30 1f6k n GLY 168 Ca -0.17 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 1f6k n GLY 168 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f6k s ASP 169 N 3.70 3.99 0.19 1.61 -1.08 -1.26 -4.98 116.67 118.85 1f6k s ASP 169 Ca 0.50 -2.49 0.24 0.00 -0.52 0.00 0.00 52.55 50.28 1f6k s ASP 169 Cb 0.13 -1.21 0.91 0.00 -1.46 0.00 0.00 42.92 41.29 1f6k s ASP 169 CO -0.03 -0.30 1.74 0.49 0.52 0.00 0.00 175.17 177.59 1f6k n PHE 170 N 3.75 0.72 -0.03 -5.34 3.01 -1.26 -1.71 117.46 116.60 1f6k n PHE 170 Ca 0.05 0.24 -0.15 0.00 1.01 0.00 0.00 57.45 58.61 1f6k n PHE 170 Cb 0.36 -0.89 -0.12 0.00 -0.01 0.00 0.00 39.48 38.82 1f6k n PHE 170 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1f6k h TYR 171 N 0.00 0.24 -0.69 1.38 3.20 -1.99 -2.16 116.97 116.96 1f6k h TYR 171 Ca 0.00 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 1f6k h TYR 171 Cb 0.52 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1f6k h TYR 171 CO 0.00 0.94 0.37 1.25 -1.64 0.00 0.00 178.16 179.08 1f6k h LEU 172 N -0.52 0.85 -0.05 2.82 5.85 -1.96 -0.63 115.31 121.68 1f6k h LEU 172 Ca -0.03 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1f6k h LEU 172 Cb 1.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1f6k h LEU 172 CO 0.05 0.69 -0.09 0.25 -0.34 0.00 0.00 178.44 179.00 1f6k h LEU 173 N 0.96 -0.28 -0.63 2.25 5.85 -1.32 0.12 115.31 122.26 1f6k h LEU 173 Ca 0.24 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1f6k h LEU 173 Cb 0.03 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1f6k h LEU 173 CO -0.04 -0.13 0.39 -0.08 -0.34 0.00 0.00 178.44 178.24 1f6k h GLU 174 N -0.14 0.84 -0.95 1.25 4.22 -0.91 -1.75 114.58 117.14 1f6k h GLU 174 Ca 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1f6k h GLU 174 Cb 0.21 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1f6k h GLU 174 CO -0.13 0.59 0.61 0.00 -2.18 0.00 0.00 179.01 177.90 1f6k h ARG 175 N 0.85 1.26 -0.39 1.92 2.47 -0.45 -1.10 114.38 118.94 1f6k h ARG 175 Ca 0.23 -0.09 -0.11 0.00 -1.26 0.00 0.00 59.98 58.75 1f6k h ARG 175 Cb -0.04 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 27.99 1f6k h ARG 175 CO -0.04 0.85 -0.18 -0.07 0.56 0.00 0.00 179.97 181.09 1f6k h LEU 176 N 1.29 0.84 -0.96 3.04 3.38 -0.50 -0.23 115.31 122.17 1f6k h LEU 176 Ca 0.35 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1f6k h LEU 176 Cb -0.12 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 1f6k h LEU 176 CO -0.07 1.05 0.35 0.50 0.09 0.00 0.00 178.44 180.36 1f6k h LYS 177 N 0.63 1.10 -0.07 1.13 3.64 -1.04 -1.37 116.57 120.59 1f6k h LYS 177 Ca 0.09 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1f6k h LYS 177 Cb 0.73 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1f6k h LYS 177 CO 0.06 0.86 -0.17 -0.22 -2.27 0.00 0.00 179.45 177.70 1f6k h LYS 178 N 1.08 0.24 -0.37 1.90 3.64 -1.03 -3.26 116.57 118.76 1f6k h LYS 178 Ca 0.26 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1f6k h LYS 178 Cb 0.13 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1f6k h LYS 178 CO -0.03 0.78 -0.27 0.00 -2.27 0.00 0.00 179.45 177.65 1f6k h ALA 179 N 0.46 0.83 -2.40 5.00 0.00 -0.90 -3.36 119.26 118.90 1f6k h ALA 179 Ca -0.00 -0.39 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 1f6k h ALA 179 Cb 0.78 -0.14 -0.41 0.00 0.00 0.00 0.00 17.79 18.03 1f6k h ALA 179 CO 0.04 0.64 -0.77 0.66 0.00 0.00 0.00 179.25 179.82 1f6k n TYR 180 N -4.09 1.90 0.31 0.00 4.01 -0.53 -4.97 117.16 113.79 1f6k n TYR 180 Ca -0.00 -3.93 0.16 0.00 -0.16 0.00 0.00 57.90 53.97 1f6k n TYR 180 Cb 0.46 -0.40 0.72 0.00 -0.31 0.00 0.00 39.34 39.82 1f6k n TYR 180 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1f6k h PRO 181 N 4.68 0.00 -0.25 -0.72 0.13 -1.71 -2.21 132.00 131.92 1f6k h PRO 181 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1f6k h PRO 181 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1f6k h PRO 181 CO 0.65 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.51 1f6k n ASN 182 N -2.71 3.27 -4.89 1.44 3.02 -1.26 -4.91 115.26 109.21 1f6k n ASN 182 Ca 0.00 -1.99 -0.33 0.00 -0.03 0.00 0.00 54.58 52.23 1f6k n ASN 182 Cb 0.20 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 1f6k n ASN 182 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1f6k s HIS 183 N -1.67 3.54 0.35 3.10 3.76 -0.83 -5.02 115.29 118.52 1f6k s HIS 183 Ca 0.34 0.50 -0.05 0.00 -0.15 0.00 0.00 55.06 55.70 1f6k s HIS 183 Cb 0.21 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.91 1f6k s HIS 183 CO 0.31 0.56 0.63 -0.51 -0.85 0.00 0.00 174.74 174.88 1f6k s LEU 184 N -2.13 3.93 -0.07 0.89 1.43 -0.33 -4.96 118.68 117.46 1f6k s LEU 184 Ca 0.32 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1f6k s LEU 184 Cb -0.13 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1f6k s LEU 184 CO 0.21 -0.31 -0.07 -0.63 0.23 0.00 0.00 176.35 175.77 1f6k s ILE 185 N -2.29 0.81 -0.14 -0.59 1.01 -1.26 -1.16 121.20 117.58 1f6k s ILE 185 Ca 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 1f6k s ILE 185 Cb -0.10 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1f6k s ILE 185 CO 0.34 0.30 -0.12 0.26 0.00 0.00 0.00 174.94 175.72 1f6k s TRP 186 N 1.10 2.84 0.26 3.97 0.51 -0.50 -0.98 118.94 126.15 1f6k s TRP 186 Ca -0.07 -0.66 -0.29 0.00 -2.12 0.00 0.00 56.10 52.95 1f6k s TRP 186 Cb -0.14 -1.88 -0.09 0.00 -0.81 0.00 0.00 33.47 30.54 1f6k s TRP 186 CO -0.01 -0.24 1.14 0.00 -0.51 0.00 0.00 176.95 177.32 1f6k s ALA 187 N 0.48 3.42 -1.32 0.98 0.00 0.21 -0.44 121.76 125.09 1f6k s ALA 187 Ca -0.08 0.93 0.15 0.00 0.00 0.00 0.00 51.96 52.96 1f6k s ALA 187 Cb -0.16 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1f6k s ALA 187 CO 0.04 -0.24 0.80 0.41 0.00 0.00 0.00 175.76 176.77 1f6k n GLY 188 N 1.39 -0.09 3.19 0.00 0.00 0.23 -0.91 105.19 109.00 1f6k n GLY 188 Ca 0.00 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1f6k n GLY 188 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1f6k s PHE 189 N -1.84 3.48 0.52 1.61 -0.71 -1.26 -4.80 117.98 114.97 1f6k s PHE 189 Ca 0.12 -2.10 0.17 0.00 -1.04 0.00 0.00 56.93 54.08 1f6k s PHE 189 Cb 0.12 -3.44 1.28 0.00 -1.21 0.00 0.00 43.02 39.77 1f6k s PHE 189 CO 0.39 -0.97 2.11 -0.44 -1.34 0.00 0.00 175.22 174.98 1f6k h ASP 190 N 8.11 0.03 0.59 1.98 5.19 -1.89 -0.70 116.42 129.73 1f6k h ASP 190 Ca -0.14 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1f6k h ASP 190 Cb 1.05 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1f6k h ASP 190 CO 0.80 0.02 0.00 -1.84 -3.12 0.00 0.00 179.24 175.10 1f6k n GLU 191 N -4.50 0.26 -0.99 3.56 0.00 -1.26 -2.97 120.64 114.73 1f6k n GLU 191 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 57.16 57.24 1f6k n GLU 191 Cb 0.20 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.29 1f6k n GLU 191 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1f6k n MET 192 N -1.35 1.42 -0.13 3.44 2.81 -0.28 -4.84 117.12 118.20 1f6k n MET 192 Ca 0.10 -3.10 -0.09 0.00 -1.81 0.00 0.00 57.70 52.80 1f6k n MET 192 Cb 0.23 -1.32 -0.01 0.00 -0.71 0.00 0.00 33.22 31.41 1f6k n MET 192 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1f6k h MET 193 N 1.15 0.55 0.34 0.03 4.05 -1.48 -2.41 114.93 117.17 1f6k h MET 193 Ca -0.02 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1f6k h MET 193 Cb 1.26 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.92 1f6k h MET 193 CO 0.09 0.46 -0.40 1.25 0.23 0.00 0.00 176.91 178.55 1f6k h LEU 194 N 0.49 -1.11 -1.56 3.39 5.85 -1.88 0.93 115.31 121.42 1f6k h LEU 194 Ca 0.13 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1f6k h LEU 194 Cb 0.09 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1f6k h LEU 194 CO -0.02 -0.53 0.31 1.55 -0.34 0.00 0.00 178.44 179.40 1f6k h PRO 195 N -0.78 0.58 -0.35 5.25 0.13 -1.95 0.53 132.00 135.40 1f6k h PRO 195 Ca -0.02 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 1f6k h PRO 195 Cb 0.72 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1f6k h PRO 195 CO -0.10 0.38 -0.01 0.00 -0.23 0.00 0.00 178.00 178.05 1f6k h ALA 196 N 1.72 0.47 0.00 -0.56 0.00 -0.89 -2.78 119.26 117.22 1f6k h ALA 196 Ca 0.17 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1f6k h ALA 196 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1f6k h ALA 196 CO -0.04 0.25 -0.26 0.00 0.00 0.00 0.00 179.25 179.19 1f6k h ALA 197 N 0.86 1.46 0.00 0.00 0.00 -0.12 -2.13 119.26 119.33 1f6k h ALA 197 Ca 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1f6k h ALA 197 Cb 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1f6k h ALA 197 CO 0.02 0.33 -0.10 0.66 0.00 0.00 0.00 179.25 180.16 1f6k h SER 198 N 0.00 0.00 -0.26 0.00 4.64 -0.63 -0.19 113.55 117.11 1f6k h SER 198 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f6k h SER 198 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1f6k h SER 198 CO 0.03 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 176.28 1f6k n LEU 199 N -3.55 2.61 0.00 5.97 4.77 -0.81 -4.96 117.00 121.03 1f6k n LEU 199 Ca -0.02 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 1f6k n LEU 199 Cb 0.23 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1f6k n LEU 199 CO 0.29 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1f6k n GLY 200 N 1.33 0.76 3.71 -0.72 0.00 -0.08 -4.96 105.19 105.23 1f6k n GLY 200 Ca 0.18 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1f6k n GLY 200 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f6k s VAL 201 N -2.00 2.13 -0.65 1.61 -7.23 -1.17 -4.91 120.40 108.18 1f6k s VAL 201 Ca 0.00 0.06 0.25 0.00 -1.81 0.00 0.00 61.98 60.48 1f6k s VAL 201 Cb 0.00 -2.65 0.11 0.00 0.56 0.00 0.00 36.38 34.40 1f6k s VAL 201 CO 0.00 -0.03 1.42 0.44 -0.31 0.00 0.00 175.10 176.62 1f6k h ASP 202 N -0.39 0.00 -0.36 4.85 3.32 -1.44 -3.46 116.42 118.93 1f6k h ASP 202 Ca -0.48 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 56.46 1f6k h ASP 202 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1f6k h ASP 202 CO 0.49 0.08 0.13 0.61 -1.72 0.00 0.00 179.24 178.82 1f6k n GLY 203 N 1.32 0.49 3.10 2.75 0.00 -1.13 -1.41 105.19 110.32 1f6k n GLY 203 Ca 0.04 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1f6k n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6k s ALA 204 N -1.13 -0.55 -0.19 4.61 0.00 -0.50 -0.62 121.76 123.38 1f6k s ALA 204 Ca 0.04 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1f6k s ALA 204 Cb -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1f6k s ALA 204 CO -0.00 -0.11 -0.18 0.42 0.00 0.00 0.00 175.76 175.89 1f6k s ILE 205 N 0.13 2.21 -0.02 0.00 1.01 -0.09 -0.72 121.20 123.73 1f6k s ILE 205 Ca -0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 1f6k s ILE 205 Cb -0.02 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.55 1f6k s ILE 205 CO 0.00 0.52 0.42 -0.83 0.00 0.00 0.00 174.94 175.05 1f6k s GLY 206 N 1.31 -0.28 0.21 6.18 0.00 -0.68 -4.32 107.32 109.73 1f6k s GLY 206 Ca 0.05 0.62 0.07 0.00 0.00 0.00 0.00 44.72 45.45 1f6k s GLY 206 CO -0.12 0.36 1.47 1.48 0.00 0.00 0.00 173.10 176.29 1f6k h SER 207 N 3.57 0.09 0.27 1.64 4.64 -1.89 0.20 113.55 122.07 1f6k h SER 207 Ca -0.29 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1f6k h SER 207 Cb 1.17 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1f6k h SER 207 CO 0.40 0.82 0.00 0.35 -0.87 0.00 0.00 176.83 177.53 1f6k n THR 208 N -3.67 0.09 0.70 2.95 -2.24 -1.26 -2.76 114.28 108.09 1f6k n THR 208 Ca -0.02 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 1f6k n THR 208 Cb 0.74 -0.59 0.46 0.00 -2.10 0.00 0.00 70.33 68.84 1f6k n THR 208 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1f6k n PHE 209 N -1.16 0.70 0.27 4.78 3.72 -1.24 0.19 117.46 124.73 1f6k n PHE 209 Ca 0.16 0.21 0.11 0.00 -0.05 0.00 0.00 57.45 57.88 1f6k n PHE 209 Cb 0.16 -0.84 0.74 0.00 -0.94 0.00 0.00 39.48 38.60 1f6k n PHE 209 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1f6k h ASN 210 N 0.00 0.00 0.00 4.37 2.35 -1.74 -2.90 115.58 117.65 1f6k h ASN 210 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1f6k h ASN 210 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1f6k h ASN 210 CO 0.00 0.06 -0.69 1.33 -1.65 0.00 0.00 177.43 176.48 1f6k n VAL 211 N -4.05 0.00 -1.44 2.81 0.24 -1.15 -4.81 118.33 109.94 1f6k n VAL 211 Ca -0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.12 1f6k n VAL 211 Cb 0.15 -0.20 0.16 0.00 -1.47 0.00 0.00 33.84 32.48 1f6k n VAL 211 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1f6k n ASN 212 N -1.30 3.69 0.00 -1.34 5.15 0.13 -4.76 115.26 116.83 1f6k n ASN 212 Ca 0.00 -3.75 -0.10 0.00 -0.60 0.00 0.00 54.58 50.14 1f6k n ASN 212 Cb 0.18 -0.71 -0.04 0.00 -0.53 0.00 0.00 39.78 38.69 1f6k n ASN 212 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1f6k h GLY 213 N 1.24 0.01 -0.41 8.20 0.00 -1.68 -2.11 103.07 108.32 1f6k h GLY 213 Ca 0.40 0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.91 1f6k h GLY 213 CO 0.77 -0.10 -0.42 -2.08 0.00 0.00 0.00 176.54 174.71 1f6k h VAL 214 N -0.09 0.11 -0.39 4.60 2.07 -1.86 0.14 116.25 120.84 1f6k h VAL 214 Ca 0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 1f6k h VAL 214 Cb 0.20 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1f6k h VAL 214 CO -0.17 0.00 -0.05 0.03 0.02 0.00 0.00 177.57 177.40 1f6k h ARG 215 N -0.25 0.65 -0.53 1.57 3.08 -1.92 -2.10 114.38 114.88 1f6k h ARG 215 Ca 0.17 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1f6k h ARG 215 Cb 0.57 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1f6k h ARG 215 CO -0.65 0.70 0.31 0.00 -1.07 0.00 0.00 179.97 179.26 1f6k h ALA 216 N 1.35 0.68 -0.77 0.04 0.00 -0.24 0.68 119.26 121.00 1f6k h ALA 216 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1f6k h ALA 216 Cb 0.45 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1f6k h ALA 216 CO 0.02 0.17 0.26 0.00 0.00 0.00 0.00 179.25 179.70 1f6k h ARG 217 N 0.71 1.18 -0.45 0.00 3.08 -0.56 -1.84 114.38 116.51 1f6k h ARG 217 Ca 0.19 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1f6k h ARG 217 Cb 0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1f6k h ARG 217 CO -0.03 0.99 0.13 1.96 -1.07 0.00 0.00 179.97 181.94 1f6k h GLN 218 N 1.13 0.70 -0.10 0.04 4.20 -0.78 -1.07 115.11 119.24 1f6k h GLN 218 Ca 0.25 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1f6k h GLN 218 Cb 0.29 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1f6k h GLN 218 CO -0.01 0.68 0.02 0.82 -0.67 0.00 0.00 178.83 179.67 1f6k h ILE 219 N 0.58 0.96 -0.28 2.54 2.04 -0.69 0.46 117.51 123.12 1f6k h ILE 219 Ca 0.14 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 66.01 1f6k h ILE 219 Cb 0.28 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1f6k h ILE 219 CO -0.00 0.01 0.10 0.15 0.00 0.00 0.00 178.15 178.41 1f6k h PHE 220 N 0.06 0.19 -0.32 1.37 3.57 -1.15 -0.83 116.94 119.83 1f6k h PHE 220 Ca 0.04 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 1f6k h PHE 220 Cb 0.03 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1f6k h PHE 220 CO -0.11 0.09 -0.36 0.93 -2.23 0.00 0.00 178.31 176.63 1f6k h GLU 221 N 0.23 0.80 -0.63 1.11 5.08 -1.02 -2.03 114.58 118.12 1f6k h GLU 221 Ca 0.12 -0.44 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1f6k h GLU 221 Cb 0.08 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1f6k h GLU 221 CO -0.12 1.07 0.11 -0.07 -1.00 0.00 0.00 179.01 179.00 1f6k h LEU 222 N 0.57 1.00 -0.47 1.33 3.38 -0.82 -2.18 115.31 118.12 1f6k h LEU 222 Ca 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1f6k h LEU 222 Cb 0.94 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1f6k h LEU 222 CO 0.09 1.00 0.20 0.74 0.09 0.00 0.00 178.44 180.56 1f6k h THR 223 N 0.96 1.20 0.00 0.22 2.02 -1.11 -0.27 112.91 115.94 1f6k h THR 223 Ca 0.19 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1f6k h THR 223 Cb 0.42 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1f6k h THR 223 CO 0.01 0.23 -0.18 0.11 0.37 0.00 0.00 175.52 176.06 1f6k h LYS 224 N 0.62 0.00 -0.03 6.66 1.79 -1.16 -0.46 116.57 123.99 1f6k h LYS 224 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1f6k h LYS 224 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1f6k h LYS 224 CO -0.02 0.18 0.00 0.00 -1.08 0.00 0.00 179.45 178.54 1f6k n ALA 225 N -2.37 2.62 -1.01 3.86 0.00 -0.84 -4.91 120.51 117.86 1f6k n ALA 225 Ca -0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 53.44 53.12 1f6k n ALA 225 Cb 0.28 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 1f6k n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f6k n GLY 226 N 1.03 0.47 2.87 0.00 0.00 -0.18 -4.95 105.19 104.43 1f6k n GLY 226 Ca 0.20 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1f6k n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f6k n LYS 227 N -2.87 4.00 -0.04 1.61 4.76 -0.16 -4.79 118.16 120.67 1f6k n LYS 227 Ca -0.00 -3.87 -0.07 0.00 -2.87 0.00 0.00 58.31 51.50 1f6k n LYS 227 Cb 0.03 -2.77 0.11 0.00 -1.84 0.00 0.00 35.03 30.56 1f6k n LYS 227 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1f6k h LEU 228 N 6.87 0.67 -0.50 -0.35 3.38 -1.89 -1.34 115.31 122.15 1f6k h LEU 228 Ca 0.36 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1f6k h LEU 228 Cb 0.59 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1f6k h LEU 228 CO 1.52 0.93 -0.06 0.11 0.09 0.00 0.00 178.44 181.03 1f6k h LYS 229 N 0.56 0.92 -0.43 1.13 1.57 -1.97 0.56 116.57 118.90 1f6k h LYS 229 Ca 0.07 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.38 1f6k h LYS 229 Cb 0.79 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1f6k h LYS 229 CO 0.06 0.98 -0.29 0.93 -0.57 0.00 0.00 179.45 180.56 1f6k h GLU 230 N 0.77 0.96 -0.90 3.15 5.08 -1.94 -2.21 114.58 119.49 1f6k h GLU 230 Ca 0.13 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1f6k h GLU 230 Cb 0.60 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1f6k h GLU 230 CO 0.04 1.12 0.49 0.00 -1.00 0.00 0.00 179.01 179.66 1f6k h ALA 231 N 0.82 1.17 -0.28 3.43 0.00 -1.05 -2.26 119.26 121.09 1f6k h ALA 231 Ca 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1f6k h ALA 231 Cb 0.88 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1f6k h ALA 231 CO 0.08 0.67 -0.14 1.25 0.00 0.00 0.00 179.25 181.11 1f6k h LEU 232 N 1.26 0.46 -0.52 0.00 5.85 -0.66 0.12 115.31 121.82 1f6k h LEU 232 Ca 0.32 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1f6k h LEU 232 Cb 0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1f6k h LEU 232 CO -0.05 0.62 0.15 -0.08 -0.34 0.00 0.00 178.44 178.74 1f6k h GLU 233 N 0.44 0.82 -0.17 1.25 4.57 -0.83 0.12 114.58 120.78 1f6k h GLU 233 Ca 0.08 -0.19 -0.15 0.00 -1.18 0.00 0.00 59.36 57.92 1f6k h GLU 233 Cb 0.50 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1f6k h GLU 233 CO 0.03 0.77 -0.52 0.82 -1.18 0.00 0.00 179.01 178.94 1f6k h ILE 234 N 0.72 1.33 -0.34 2.32 2.04 -1.08 -2.33 117.51 120.17 1f6k h ILE 234 Ca 0.17 -1.76 -0.06 0.00 1.00 0.00 0.00 64.86 64.21 1f6k h ILE 234 Cb 0.31 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1f6k h ILE 234 CO -0.00 0.54 -0.03 -0.61 0.00 0.00 0.00 178.15 178.05 1f6k h GLN 235 N 0.38 0.53 -0.39 2.37 5.75 -0.37 -0.58 115.11 122.80 1f6k h GLN 235 Ca 0.01 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 1f6k h GLN 235 Cb 1.04 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 1f6k h GLN 235 CO 0.09 0.58 0.07 0.45 -2.65 0.00 0.00 178.83 177.38 1f6k h HIS 236 N 0.51 0.67 -0.44 3.99 3.86 -0.37 -0.03 115.15 123.34 1f6k h HIS 236 Ca 0.11 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 1f6k h HIS 236 Cb 0.38 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1f6k h HIS 236 CO 0.01 0.67 -0.13 0.28 0.86 0.00 0.00 177.93 179.61 1f6k h VAL 237 N 0.49 1.27 -0.68 2.45 2.07 -1.24 -1.54 116.25 119.08 1f6k h VAL 237 Ca 0.12 -1.26 0.07 0.00 0.82 0.00 0.00 66.70 66.44 1f6k h VAL 237 Cb 0.35 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1f6k h VAL 237 CO 0.01 0.43 0.37 0.74 0.02 0.00 0.00 177.57 179.13 1f6k h THR 238 N 0.71 0.94 0.00 2.57 2.02 -1.00 -2.04 112.91 116.11 1f6k h THR 238 Ca 0.11 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 1f6k h THR 238 Cb 0.68 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1f6k h THR 238 CO 0.05 0.12 -0.22 0.78 0.37 0.00 0.00 175.52 176.62 1f6k h ASN 239 N 0.67 0.00 -0.48 4.18 4.21 -0.76 0.91 115.58 124.32 1f6k h ASN 239 Ca 0.31 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.75 1f6k h ASN 239 Cb 0.22 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 1f6k h ASN 239 CO -0.20 0.22 0.02 0.44 -1.29 0.00 0.00 177.43 176.63 1f6k h ASP 240 N 0.00 0.81 -0.27 5.81 3.32 -0.65 0.16 116.42 125.60 1f6k h ASP 240 Ca -0.00 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 1f6k h ASP 240 Cb 0.94 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1f6k h ASP 240 CO 0.03 0.90 -0.01 0.25 -1.72 0.00 0.00 179.24 178.69 1f6k h LEU 241 N 0.69 0.48 -0.65 1.55 5.85 -0.94 -2.39 115.31 119.89 1f6k h LEU 241 Ca 0.14 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1f6k h LEU 241 Cb 0.48 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1f6k h LEU 241 CO 0.02 0.68 0.26 0.40 -0.34 0.00 0.00 178.44 179.46 1f6k h ILE 242 N 0.26 1.24 -0.74 4.05 2.04 -0.71 -0.59 117.51 123.05 1f6k h ILE 242 Ca 0.07 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.23 1f6k h ILE 242 Cb 0.45 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1f6k h ILE 242 CO 0.02 0.30 0.44 -0.08 0.00 0.00 0.00 178.15 178.82 1f6k h GLU 243 N 0.92 0.79 -0.18 2.37 4.81 -0.61 0.78 114.58 123.46 1f6k h GLU 243 Ca 0.22 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 1f6k h GLU 243 Cb 0.21 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1f6k h GLU 243 CO -0.02 0.53 -0.45 0.78 -0.73 0.00 0.00 179.01 179.12 1f6k h GLY 244 N 0.82 0.49 0.87 1.92 0.00 -0.92 -2.22 103.07 104.03 1f6k h GLY 244 Ca 0.32 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1f6k h GLY 244 CO -0.16 0.46 0.04 -2.22 0.00 0.00 0.00 176.54 174.66 1f6k h ILE 245 N 0.37 1.24 -0.56 2.60 2.04 -0.37 -1.75 117.51 121.07 1f6k h ILE 245 Ca 0.03 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1f6k h ILE 245 Cb 0.94 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1f6k h ILE 245 CO 0.08 0.26 0.19 -0.07 0.00 0.00 0.00 178.15 178.61 1f6k h LEU 246 N 0.27 0.80 -0.88 1.44 3.38 -0.77 -1.74 115.31 117.82 1f6k h LEU 246 Ca 0.08 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1f6k h LEU 246 Cb 0.35 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1f6k h LEU 246 CO 0.01 0.78 -0.01 0.00 0.09 0.00 0.00 178.44 179.31 1f6k h ALA 247 N 1.05 1.07 0.00 1.53 0.00 -1.32 -2.96 119.26 118.63 1f6k h ALA 247 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1f6k h ALA 247 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1f6k h ALA 247 CO -0.01 0.58 -0.11 -1.71 0.00 0.00 0.00 179.25 178.01 1f6k n ASN 248 N -4.21 0.76 0.00 0.00 4.05 -0.67 -4.98 115.26 110.22 1f6k n ASN 248 Ca 0.02 0.49 0.00 0.00 0.45 0.00 0.00 54.58 55.55 1f6k n ASN 248 Cb 0.31 -0.62 0.00 0.00 1.23 0.00 0.00 39.78 40.70 1f6k n ASN 248 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1f6k n GLY 249 N 1.32 1.89 0.28 8.20 0.00 -0.67 -4.76 105.19 111.46 1f6k n GLY 249 Ca 0.05 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 1f6k n GLY 249 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1f6k h LEU 250 N 0.00 -0.85 -0.26 0.99 5.85 -1.72 0.65 115.31 119.97 1f6k h LEU 250 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1f6k h LEU 250 Cb 0.00 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1f6k h LEU 250 CO 0.00 -0.36 0.09 1.88 -0.34 0.00 0.00 178.44 179.72 1f6k h TYR 251 N -0.51 0.40 -0.31 1.25 0.99 -1.97 -2.18 116.97 114.64 1f6k h TYR 251 Ca -0.02 -0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.62 1f6k h TYR 251 Cb 0.47 -0.12 -0.02 0.00 1.00 0.00 0.00 36.73 38.07 1f6k h TYR 251 CO -0.27 0.43 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.20 1f6k h LEU 252 N 0.26 0.47 -0.43 3.88 3.38 -1.93 -2.12 115.31 118.81 1f6k h LEU 252 Ca 0.08 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1f6k h LEU 252 Cb 0.21 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1f6k h LEU 252 CO -0.00 0.58 -0.65 0.74 0.09 0.00 0.00 178.44 179.20 1f6k h THR 253 N 0.47 1.34 -0.51 0.22 2.02 -0.62 -0.98 112.91 114.85 1f6k h THR 253 Ca 0.10 -1.95 -0.13 0.00 0.77 0.00 0.00 66.41 65.20 1f6k h THR 253 Cb 0.39 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1f6k h THR 253 CO 0.02 0.60 -0.18 0.40 0.37 0.00 0.00 175.52 176.72 1f6k h ILE 254 N 0.39 1.27 -0.81 3.11 2.04 -1.19 -0.03 117.51 122.29 1f6k h ILE 254 Ca -0.01 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 1f6k h ILE 254 Cb 1.21 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 1f6k h ILE 254 CO 0.12 0.47 0.36 0.11 0.00 0.00 0.00 178.15 179.21 1f6k h LYS 255 N 0.88 1.19 -0.14 2.37 1.57 -1.27 -0.91 116.57 120.25 1f6k h LYS 255 Ca 0.12 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1f6k h LYS 255 Cb 0.76 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1f6k h LYS 255 CO 0.06 0.93 -0.42 0.93 -0.57 0.00 0.00 179.45 180.39 1f6k h GLU 256 N 1.17 0.33 -0.45 3.15 4.39 -0.74 -0.31 114.58 122.11 1f6k h GLU 256 Ca 0.28 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 1f6k h GLU 256 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1f6k h GLU 256 CO -0.03 0.69 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.23 1f6k h LEU 257 N 0.27 0.94 -0.93 1.33 3.38 -0.62 -2.57 115.31 117.11 1f6k h LEU 257 Ca 0.02 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1f6k h LEU 257 Cb 0.85 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1f6k h LEU 257 CO 0.07 1.12 0.33 -0.07 0.09 0.00 0.00 178.44 179.98 1f6k h LEU 258 N 0.80 1.00 -1.23 1.67 3.38 -0.60 -2.20 115.31 118.13 1f6k h LEU 258 Ca 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1f6k h LEU 258 Cb 0.77 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1f6k h LEU 258 CO 0.06 0.87 0.48 0.11 0.09 0.00 0.00 178.44 180.05 1f6k h LYS 259 N 1.08 1.00 0.00 1.13 1.57 -0.84 0.12 116.57 120.62 1f6k h LYS 259 Ca 0.26 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1f6k h LYS 259 Cb 0.16 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1f6k h LYS 259 CO -0.03 0.68 0.00 1.28 -0.57 0.00 0.00 179.45 180.81 1f6k n LEU 260 N -4.41 0.63 -1.62 2.94 4.77 -0.84 -1.68 117.00 116.79 1f6k n LEU 260 Ca 0.08 0.65 0.09 0.00 -0.03 0.00 0.00 56.01 56.80 1f6k n LEU 260 Cb 0.05 -0.56 0.36 0.00 -2.33 0.00 0.00 43.42 40.94 1f6k n LEU 260 CO 0.37 -0.53 0.83 -0.62 -1.33 0.00 0.00 177.39 176.11 1f6k n GLU 261 N -2.19 3.85 -1.08 3.23 1.02 -0.07 -4.94 120.64 120.46 1f6k n GLU 261 Ca 0.02 -2.93 -0.03 0.00 -0.02 0.00 0.00 57.16 54.21 1f6k n GLU 261 Cb 0.23 -1.93 -0.01 0.00 -0.02 0.00 0.00 31.44 29.71 1f6k n GLU 261 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f6k n GLY 262 N 1.08 0.59 3.58 0.62 0.00 -0.67 -5.03 105.19 105.36 1f6k n GLY 262 Ca 0.26 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 1f6k n GLY 262 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f6k s VAL 263 N -2.07 5.10 -1.24 1.61 1.01 -0.60 -5.00 120.40 119.20 1f6k s VAL 263 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 1f6k s VAL 263 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1f6k s VAL 263 CO 0.00 0.30 2.03 -0.67 0.00 0.00 0.00 175.10 176.75 1f6k n ASP 264 N 4.81 3.73 0.04 3.32 2.03 -1.26 -2.97 116.55 126.25 1f6k n ASP 264 Ca -0.15 -2.81 0.11 0.00 0.52 0.00 0.00 54.79 52.46 1f6k n ASP 264 Cb 0.52 -1.57 0.44 0.00 -0.72 0.00 0.00 41.12 39.79 1f6k n ASP 264 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f6k n ALA 265 N 7.72 1.91 -0.84 -1.67 0.00 -1.26 -4.36 120.51 122.00 1f6k n ALA 265 Ca 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1f6k n ALA 265 Cb 0.42 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1f6k n ALA 265 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f6k n GLY 266 N 0.54 0.73 3.96 0.00 0.00 -1.26 -4.10 105.19 105.05 1f6k n GLY 266 Ca 0.04 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 1f6k n GLY 266 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f6k s TYR 267 N 0.00 3.09 0.54 1.61 1.51 -0.18 -4.82 117.35 119.10 1f6k s TYR 267 Ca 0.00 0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 56.15 1f6k s TYR 267 Cb 0.00 -2.45 0.01 0.00 -0.11 0.00 0.00 41.96 39.41 1f6k s TYR 267 CO 0.00 -0.51 0.82 0.00 -1.11 0.00 0.00 175.55 174.75 1f6k s ARG 269 N -4.85 4.15 -0.09 0.00 6.06 -1.26 -4.37 118.95 118.58 1f6k s ARG 269 Ca 0.52 -0.06 -0.30 0.00 -2.50 0.00 0.00 55.73 53.39 1f6k s ARG 269 Cb -0.10 -3.40 -0.03 0.00 0.06 0.00 0.00 34.95 31.48 1f6k s ARG 269 CO 0.43 0.33 1.36 -1.21 -2.50 0.00 0.00 175.30 173.71 1f6k s GLU 270 N 0.25 4.25 0.00 5.12 2.02 -1.26 -1.45 118.70 127.63 1f6k s GLU 270 Ca 0.13 1.84 0.24 0.00 0.02 0.00 0.00 54.97 57.19 1f6k s GLU 270 Cb -0.12 -3.74 0.24 0.00 0.10 0.00 0.00 34.13 30.61 1f6k s GLU 270 CO 0.01 -0.67 1.26 -0.35 0.02 0.00 0.00 175.26 175.53 1f6k n PRO 271 N 6.25 1.56 -2.36 0.39 -0.04 -1.26 -5.02 135.00 134.52 1f6k n PRO 271 Ca 0.14 -1.23 -0.33 0.00 -0.04 0.00 0.00 63.50 62.03 1f6k n PRO 271 Cb 0.44 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1f6k n PRO 271 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1f6k s MET 272 N -2.29 3.63 -0.03 0.54 -1.94 -0.53 -4.92 119.30 113.76 1f6k s MET 272 Ca 0.24 1.29 -0.34 0.00 -1.71 0.00 0.00 55.69 55.17 1f6k s MET 272 Cb 0.19 -2.07 -0.12 0.00 2.01 0.00 0.00 34.83 34.83 1f6k s MET 272 CO 0.46 -0.57 1.79 2.41 -0.01 0.00 0.00 175.02 179.11 1f6k n THR 273 N -1.37 0.42 0.08 2.05 -1.04 -1.26 -4.57 114.28 108.59 1f6k n THR 273 Ca 0.09 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.05 61.81 1f6k n THR 273 Cb 0.53 -1.75 -0.13 0.00 -1.82 0.00 0.00 70.33 67.16 1f6k n THR 273 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1f6k h SER 274 N 8.26 0.79 -3.50 8.00 4.64 -1.89 -3.41 113.55 126.45 1f6k h SER 274 Ca -0.48 -0.84 -0.67 0.00 -0.47 0.00 0.00 61.79 59.34 1f6k h SER 274 Cb 1.27 -0.25 -0.20 0.00 -0.31 0.00 0.00 62.40 62.92 1f6k h SER 274 CO 0.93 1.54 -0.68 -0.75 -0.87 0.00 0.00 176.83 177.01 1f6k s LYS 275 N -2.92 3.09 0.36 4.77 2.20 -1.26 -1.27 119.74 124.70 1f6k s LYS 275 Ca -0.10 -0.53 -0.27 0.00 -0.36 0.00 0.00 55.97 54.71 1f6k s LYS 275 Cb 0.05 -2.72 -0.09 0.00 -1.51 0.00 0.00 37.83 33.56 1f6k s LYS 275 CO 0.91 0.52 1.21 0.00 -0.36 0.00 0.00 175.35 177.63 1f6k s ALA 276 N -0.41 3.30 0.86 3.13 0.00 -1.26 -5.03 121.76 122.35 1f6k s ALA 276 Ca 0.06 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 1f6k s ALA 276 Cb -0.12 -3.41 0.11 0.00 0.00 0.00 0.00 23.12 19.70 1f6k s ALA 276 CO 0.02 -0.53 1.19 0.95 0.00 0.00 0.00 175.76 177.39 1f6k s THR 277 N -1.28 1.99 0.16 0.00 -4.23 -1.26 -4.84 115.64 106.18 1f6k s THR 277 Ca 0.53 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.88 1f6k s THR 277 Cb -0.34 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.58 1f6k s THR 277 CO 0.44 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.32 1f6k h ALA 278 N -1.27 0.50 -0.73 3.99 0.00 -1.99 -1.10 119.26 118.65 1f6k h ALA 278 Ca -0.47 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1f6k h ALA 278 Cb 1.32 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1f6k h ALA 278 CO 0.60 -0.11 0.40 1.49 0.00 0.00 0.00 179.25 181.64 1f6k h GLU 279 N 0.46 0.70 -0.76 0.00 4.57 -1.99 0.18 114.58 117.75 1f6k h GLU 279 Ca 0.16 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1f6k h GLU 279 Cb 0.01 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 1f6k h GLU 279 CO -0.08 0.46 0.35 1.96 -1.18 0.00 0.00 179.01 180.53 1f6k h GLN 280 N 0.72 1.10 -0.49 1.92 4.20 -1.82 -0.91 115.11 119.82 1f6k h GLN 280 Ca 0.34 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 1f6k h GLN 280 Cb 0.26 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1f6k h GLN 280 CO -0.22 0.86 -0.01 0.28 -0.67 0.00 0.00 178.83 179.08 1f6k h VAL 281 N 1.07 1.26 -0.41 -0.54 2.07 -0.31 -1.34 116.25 118.05 1f6k h VAL 281 Ca 0.26 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1f6k h VAL 281 Cb 0.14 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1f6k h VAL 281 CO -0.03 0.38 0.23 0.00 0.02 0.00 0.00 177.57 178.17 1f6k h ALA 282 N 0.93 0.52 -0.72 1.67 0.00 -0.32 -1.61 119.26 119.72 1f6k h ALA 282 Ca 0.14 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1f6k h ALA 282 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1f6k h ALA 282 CO 0.03 -0.10 0.18 -0.22 0.00 0.00 0.00 179.25 179.14 1f6k h LYS 283 N 0.47 1.15 -0.78 0.00 1.63 -1.03 -2.11 116.57 115.91 1f6k h LYS 283 Ca 0.17 -0.27 0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1f6k h LYS 283 Cb 0.02 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.46 1f6k h LYS 283 CO -0.09 1.01 0.51 0.00 -3.45 0.00 0.00 179.45 177.43 1f6k h ALA 284 N 1.09 1.00 -0.79 5.00 0.00 -0.90 -0.41 119.26 124.24 1f6k h ALA 284 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1f6k h ALA 284 Cb 0.37 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1f6k h ALA 284 CO 0.00 0.37 0.50 -0.22 0.00 0.00 0.00 179.25 179.90 1f6k h LYS 285 N 1.03 1.06 -0.48 0.00 3.64 -0.87 -0.41 116.57 120.53 1f6k h LYS 285 Ca 0.29 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1f6k h LYS 285 Cb -0.08 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 1f6k h LYS 285 CO -0.08 0.73 -0.06 -0.44 -2.27 0.00 0.00 179.45 177.33 1f6k h ASP 286 N 1.08 0.89 -0.73 4.20 3.32 -0.92 -1.61 116.42 122.64 1f6k h ASP 286 Ca 0.29 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1f6k h ASP 286 Cb -0.08 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 1f6k h ASP 286 CO -0.06 1.02 0.37 -0.07 -1.72 0.00 0.00 179.24 178.79 1f6k h LEU 287 N 0.75 0.94 -0.45 1.55 3.38 -0.68 -1.01 115.31 119.79 1f6k h LEU 287 Ca 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1f6k h LEU 287 Cb 0.60 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1f6k h LEU 287 CO 0.04 0.79 0.17 0.50 0.09 0.00 0.00 178.44 180.03 1f6k h LYS 288 N 1.02 0.68 -0.49 1.13 3.11 -0.88 -0.10 116.57 121.04 1f6k h LYS 288 Ca 0.25 -0.13 -0.01 0.00 -2.81 0.00 0.00 60.65 57.95 1f6k h LYS 288 Cb 0.08 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1f6k h LYS 288 CO -0.04 0.64 0.28 0.00 -2.81 0.00 0.00 179.45 177.52 1f6k h ALA 289 N 1.01 0.63 -0.04 5.00 0.00 -0.90 -0.51 119.26 124.45 1f6k h ALA 289 Ca 0.15 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 1f6k h ALA 289 Cb 0.22 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1f6k h ALA 289 CO -0.01 0.14 -0.95 -0.22 0.00 0.00 0.00 179.25 178.21 1f6k h LYS 290 N 0.66 0.67 0.00 0.00 3.64 -1.09 -3.39 116.57 117.06 1f6k h LYS 290 Ca 0.17 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1f6k h LYS 290 Cb 0.03 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1f6k h LYS 290 CO -0.03 1.26 -0.33 1.19 -2.27 0.00 0.00 179.45 179.27 1f6k n PHE 291 N -3.86 0.00 -1.64 1.91 3.72 -0.06 -4.80 117.46 112.74 1f6k n PHE 291 Ca -0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.36 1f6k n PHE 291 Cb 0.83 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 39.46 1f6k n PHE 291 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1f6k n LEU 292 N -1.17 1.57 -0.09 4.37 4.77 -0.24 -5.03 117.00 121.18 1f6k n LEU 292 Ca 0.00 -2.51 0.01 0.00 -0.03 0.00 0.00 56.01 53.49 1f6k n LEU 292 Cb 0.04 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1f6k n LEU 292 CO 0.04 0.69 0.28 -1.20 -1.33 0.00 0.00 177.39 175.87